Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Isopicropodophyllone

Isopicropodophyllone, a natural compound that can be isolated from leaves of Podophyllum hexandrum, possesses antifungal activity[1].

  • CAS Number: 55515-07-6
  • MF: C22H20O8
  • MW: 412.39
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-3-Amino-4-phenylbutyric acid hydrochloride

H-β-HoPhe-OH.HCl is a phenylalanine derivative[1].

  • CAS Number: 138165-77-2
  • MF: C10H14ClNO2
  • MW: 215.677
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 329.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 153.1ºC

Tyclopyrazoflor

Tyclopyrazoflor is an anthranilamide compound with pesticidal activity.

  • CAS Number: 1477919-27-9
  • MF: C16H18ClF3N4OS
  • MW: 406.85
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-one

LPRP-Et-97543 is a potent anti-HBV agent. LPRP-Et-97543 reduces Core, S, and preS but not X promoter activities. LPRP-Et-97543 can be used for acute and chronic HBV infections research[1].

  • CAS Number: 84638-48-2
  • MF: C17H16O5
  • MW: 300.3
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-(N-Isopentenyl-N-trifluoroacetyl) aminomethyluridine

5-(N-Isopentenyl-N-trifluoroacetyl) aminomethyluridine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 1613530-43-0
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quercetin 3-O-Glc-(1→2)-Rha-7-O-Rha

Quercetin 3-O-Glc-(1→2)-Rha-7-O-Rha is a flavonol glycoside with no significant inhibitory activity against albumin oleate-induced lipid accumulation.

  • CAS Number: 138989-37-4
  • MF: C33H40O20
  • MW: 756.66
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CA-5f

CA-5f is a potent late-stage macroautophagy/autophagy inhibitor via inhibiting autophagosome-lysosome fusion. CA-5f increases LC3B-II (a marker to monitor autophagy) and SQSTM1 protein both in A549 cells and HUVECs. Anti-tumor activity[1].

  • CAS Number: 1370032-19-1
  • MF: C24H24N2O3
  • MW: 388.46
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Marizomib

Marizomib (Salinosporamide A) is second-generation, irreversible, brain-penetrant, pan-proteasome inhibitor. Marizomib inhibits the CT-L (β5), CT-T-laspase-like (C-L, β1) and trypsin-like (T-L, β2) activities of the 20S proteasome (IC50=3.5, 28, and 430 nM, respectively)[1][2][3].

  • CAS Number: 437742-34-2
  • MF: C15H20ClNO4
  • MW: 313.77700
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-NODAGA-tris(t-Bu ester)

(S)-NODAGA-tris(t-Bu ester) ((S)-NODAG) is a NODAGA derivative. (S)-NODAGA-tris(t-Bu ester) can be used to label peptides, antibodies, etc., and subsequently radiolabeled for PET imaging[1].

  • CAS Number: 438553-50-5
  • MF: C27H49N3O8
  • MW: 543.69
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

glucosyringic acid

Glucosyringic acid is a compound isolated from Saxifraga Montana H.[1].

  • CAS Number: 33228-65-8
  • MF: C15H20O10
  • MW: 360.313
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 611.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 224.7±25.0 °C

7-hydroxy Warfarin

7-Hydroxywarfarin is a Warfarin analog with anticoagulant activity[1].

  • CAS Number: 17834-03-6
  • MF: C19H16O5
  • MW: 324.33
  • Catalog: Others
  • Density: 1.384g/cm3
  • Boiling Point: 540.2ºC at 760mmHg
  • Melting Point: 220ºC
  • Flash Point: 197.7ºC

KN-93

KN-93 is a cell-permeable, reversible and competitive inhibitor calmodulin-dependent kinase type II (CaMKII) with a Ki of 370 nM.

  • CAS Number: 139298-40-1
  • MF: C26H29ClN2O4S
  • MW: 501.038
  • Catalog: CaMK
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 657.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 351.5±34.3 °C

Hetacillin

Hetacillin is a beta-lactam antibiotic that is part of the aminopenicillin family. It is a prodrug and it has no antibacterial activity itself, but quickly splits of acetone in the human body to form ampicillin, which is active against a variety of bacteria.

  • CAS Number: 3511-16-8
  • MF: C19H23N3O4S
  • MW: 389.46900
  • Catalog: Bacterial
  • Density: 1.43g/cm3
  • Boiling Point: 648.4ºC at 760mmHg
  • Melting Point: 189.2-191.0°
  • Flash Point: 345.9ºC

CB-154 mesylate

Bromocriptine mesylate is a potent dopamine D2/D3 receptor agonist, which binds D2 dopamine receptor with pKi of 8.05±0.2.

  • CAS Number: 22260-51-1
  • MF: C33H44BrN5O8S
  • MW: 750.700
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: 891.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 492.8ºC

Zinc Pyrithione

Zinc Pyrithione is an antifungal and antibacterial agent disrupting membrane transport by blocking the proton pump.Target: Proton PumpZinc pyrithione is considered as a coordination complex of zinc. The pyrithione ligands, which are formally monoanions, are chelated to Zn 2+ via oxygen and sulfur centers. In the crystalline state, zinc pyrithione exists as a centrosymmetric dimer, where each zinc is bonded to two sulfur and three oxygen centers. In solution, however, the dimers dissociate via scission of one Zn-O bond. Zinc pyrithione, which is a dimer but is probably biologically active as a monomer, induces plasma membrane depolarization with half-maximal effect (K1/2) of about 0.3 mM [1]. Zinc pyrithione is an unusual synthetic potentiator that potently activates both heterologous and native M channels by inducing channel opening at the resting potential [2]. Zinc pyrithione rapidly accumulated in the tissues of the exposed mussels, proportionately to both exposure concentration and time. Even though the 7-d median lethal concentration (LC50) = 8.27 μM established here appears high with respect to reported ZnPT environmental concentrations, the results indicate that this biocide could represent a threat for marine organisms in coastal environments and that further investigations on its biological effects at sublethal doses are needed [3].

  • CAS Number: 13463-41-7
  • MF: C10H8N2O2S2Zn
  • MW: 317.722
  • Catalog: Proton Pump
  • Density: 1.782 g/cm3 (25ºC)
  • Boiling Point: 253.8ºC at 760 mmHg
  • Melting Point: 262ºC
  • Flash Point: 107.3ºC

Sibiricose A1

Sibiricose A1is an oligosaccharide ester that can be found in Polygala tenuifolia[1].

  • CAS Number: 139726-40-2
  • MF: C23H32O15
  • MW: 548.49100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AK-IN-1

AK-IN-1 (compound 4072-2732) is an adenosine kinase (AK) inhibitor that is competitive for adenosine (Ado) but not for ATP. AK-IN-1 inhibits 86%, 87% and 89% of AK activity at concentrations of 2, 4 and 10 µM, respectively. AK-IN-1 has good potential for research in many disease areas, including ischaemia, inflammation and seizures[1].

  • CAS Number: 378775-98-5
  • MF: C22H21N3O4
  • MW: 391.42
  • Catalog: Adenosine Kinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 593.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 312.4±30.1 °C

Hypoglaunine D

Hypoglaunine D is an analogue of Triptonine B and acts as an anti-HIV compound. Hypoglaunine D inhibits HIV replication in H9 lymphocytes with an EC50 value of 22 μg/ml[1].

  • CAS Number: 220751-00-8
  • MF: C41H47NO19
  • MW: 857.81
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

YM281

YM281 is a potent EZH2 inhibitor. YM281 induces cell apoptosis and cell cycle arrest at the G0/G1 phase. YM281 shows antitumor effects in vivo. YM281 has the potential for the research of lymphoma[1].

  • CAS Number: 2230914-84-6
  • MF: C56H71N7O9S
  • MW: 1018.27
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BRCA1-IN-2

BRCA1-IN-2 (compound 15) is a cell-permeable protein-protein interaction (PPI) inhibitor for BRCA1 with an IC50 of 0.31 μM and a Kd of 0.3 μM, which shows antitumor activities via the disruption of BRCA1 (BRCT)2/protein interactions[1].

  • CAS Number: 1622262-55-8
  • MF: C26H33N4O7P
  • MW: 544.54
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AS-041164

AS-041164 is a potent, selective and orally active PI3Kγ isoform inhibitor with an IC50 of 70 nM. AS-041164 shows less activity against PI3Kα, PI3Kβ, and PI3Kδ (IC50s of 240 nM, 1.45 μM, and 1.70 μM, respectively). AS-041164 has anti-inflammatory effects[1].

  • CAS Number: 6318-41-8
  • MF: C11H7NO4S
  • MW: 249.243
  • Catalog: PI3K
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

9-Azido-Neu5DAz

9-Azido-Neu5DAz is a non-natural bifunctional carbohydrates as imaging agent.

  • CAS Number: 1639411-87-2
  • MF: C14H22N6O8
  • MW: 402.360
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ANAT inhibitor-1

ANAT inhibitor-1 is a human aspartate N-acetyltransferase (ANAT) inhibitor for canavan disease.

  • CAS Number: 331751-78-1
  • MF: C11H16N4O3S
  • MW: 284.33
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CU-3

CU-3 is the racemate of (5Z,2E)-CU-3. (5Z,2E)-CU-3 is a potent and selective inhibitor against the α-isozyme of DGK with an IC50 value of 0.6 μM, competitively inhibits the affinity of DGKα for ATP with a Km value of 0.48 mM. (5Z,2E)-CU-3 targets the catalytic region, but not the regulatory region of DGKα. (5Z,2E)-CU-3 has antitumoral and proimmunogenic effects, enhances the apoptosis of cancer cells and the activation of T cells[1].

  • CAS Number: 861123-84-4
  • MF: C16H12N2O4S3
  • MW: 392.47
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-Afatinib

(R)-Afatinib ((R)-BIBW 2992) is the Afatinib isomer. Afatinib (HY-10261) is an orally active, potent and irreversible dual specificity inhibitor of ErbB family (EGFR and HER2), with IC50 values of 0.5 nM, 0.4 nM, 10 nM and 14 nM for EGFRwt, EGFRL858R, EGFRL858R/T790M and HER2, respectively. Afatinib can be used for the research of esophageal squamous cell carcinoma (ESCC), non-small cell lung cancer (NSCLC) and gastric cancer[1].

  • CAS Number: 439081-17-1
  • MF: C24H25ClFN5O3
  • MW: 485.9384032
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Upanovimab

Upanovimab (SCTA01) is a monoclonal antibody[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dehydroaltenusin

Dehydroaltenusin is a small molecule selective inhibitor of eukaryotic DNA polymerase α, a type of antibiotic produced by a fungus with an IC50 value of 0.68 μM. The inhibitory mode of action of dehydroaltenusin against mammalian pol α activity is competitive with respect to the DNA template primer (Ki=0.23 µM) and non-competitive with respect to the 2'-deoxyribonucleoside 5'-triphosphate substrate (Ki=0.18 µM)[1].Dehydroaltenusin arrests the cancer cell cycle at the S-phase and triggers apoptosis[1].Dehydroaltenusin possesses anti-tumor activity against human adenocarcinoma tumor in vivo[1].

  • CAS Number: 31186-13-7
  • MF: C15H12O6
  • MW: 288.25
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Methyl-2-undecylquinolin-4(1H)-one

1-Methyl-2-undecyl-4(1H)-quinolone is a potent, irreversible and selective inhibitor of type B monoamine oxidase (MAO-B). 1-Methyl-2-undecyl-4(1H)-quinolone shows a selective inhibition of MAO-B activity with the IC50 and Ki values of 15.3 μM and 9.91 μM, respectively, but did not inhibit type A MAO (MAO-A) activity. Methyl-2-undecyl-4(1H)-quinolone, as a quinolone alkaloid, is isolated from fresh leaves and fruits of Evodia rutaecarpa HOOK. f. et THOMS[1][2].

  • CAS Number: 59443-02-6
  • MF: C21H31NO
  • MW: 313.477
  • Catalog: Monoamine Oxidase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 419.9±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 141.0±18.1 °C

furaprofen

R803 is an effective HCV replication inhibitor. R803 is substantially more potent against genotype 1a and 1b replicons (EC50, ~30 nM) than against the genotype 2a replicon (EC50, ~1,000 nM).

  • CAS Number: 67700-30-5
  • MF: C17H14O3
  • MW: 266.29100
  • Catalog: HCV
  • Density: 1.23g/cm3
  • Boiling Point: 449.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 225.6ºC

Rosmantuzumab

Rosmantuzumab (OMP-131R10) is an anti-R-spondin 3 (RSPO3) humanized monoclonal antibody. Rosmantuzumab can be used for the research of advanced telapsed and refractory solid tumors[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A