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

QST4

QST4 has antitubercular activity, with the MIC value of 6.25 μM in Mycobacterium tuberculosis H37Rv[1].

  • CAS Number: 2991427-35-9
  • MF: C16H13ClN4O2S2
  • MW: 392.88
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indeloxazine hydrochloride

Indeloxazine hydrochloride is a 5-HT receptor and norepinephrine (NE) reuptake inhibitor. Indeloxazine hydrochloride is an antidepressant and cerebral activator[1].

  • CAS Number: 65043-22-3
  • MF: C14H18ClNO2
  • MW: 267.75
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 401.4ºC at 760 mmHg
  • Melting Point: 169-170°; mp 155-156°
  • Flash Point: 160.3ºC

Quininic acid

Quininic acid, purified from Eucalyptus globulus, cinchona bark, and other plant products, is the most abundant organic acid[1].

  • CAS Number: 86-68-0
  • MF: C11H9NO3
  • MW: 203.19400
  • Catalog: Cardiovascular Disease
  • Density: 1.325 g/cm3
  • Boiling Point: 385.4ºC at
  • Melting Point: 280 °C(dec.)
  • Flash Point: 186.9ºC

2-(3,4-Dihydroxyphenyl)ethanol

Hydroxytyrosol (DOPET) is a phenolic compound drawn from the olive tree and its leaves with anti-oxidant, anti-atherogenic, anti-thrombotic, antimicrobial, anti-inflammatory and anti-tumour effects[1][2].

  • CAS Number: 10597-60-1
  • MF: C8H10O3
  • MW: 154.163
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 355.4±27.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 182.6±18.3 °C

AMI-193

Spiramide (AMI-193) is a potent and selective antagonist of 5-HT2 and dopamine D2 receptor, with Kis of 2 nM and 3 nM, respectively. Spiramide has >2000-fold selectivity for 5-HT2 versus 5-HT1C (Ki=4300 nM) receptors. Spiramide exhibits antipsychotic activity[1][2][3].

  • CAS Number: 510-74-7
  • MF: C22H26FN3O2
  • MW: 383.45900
  • Catalog: 5-HT Receptor
  • Density: 1.26 g/cm3
  • Boiling Point: 609.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 322.2ºC

ST3932

ST3932 is a metabolite of ST1535, acts as an antagonist of adenosine A2A receptor, with Kis of 8 nM and 33 nM for A2A and A1 receptors, respectively.

  • CAS Number: 1246018-21-2
  • MF: C12H16N8O
  • MW: 288.31
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3’-Deoxy-3’,5-difluorocytidine

3’-Deoxy-3’,5-difluorocytidine 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: 661470-65-1
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E3 ligase Ligand 5

E3 ligase Ligand 5 is a ligand of E3 ligase, extracted from patent US 20160058872A1, Paragraph 0515. E3 ligase Ligand 5 can be used in PROTAC technology.

  • CAS Number: 1264754-13-3
  • MF: C19H11F3N2O4S
  • MW: 420.362
  • Catalog: Ligand for E3 Ligase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LD 490

Coumarin 6H, a Coumarin (Coumarin (HY-N0709)) derivative, is a laser dye. The fluorescence emission of Coumarin 6H can be enhanced by hydrogen bonding interactions[1][2].

  • CAS Number: 58336-35-9
  • MF: C15H15NO2
  • MW: 241.28500
  • Catalog: Inflammation/Immunology
  • Density: 1.32g/cm3
  • Boiling Point: 486.3ºC at 760 mmHg
  • Melting Point: 130 °C
  • Flash Point: 201ºC

Androgen receptor antagonist 5

Androgen receptor antagonist 5 (compound 42f) is a potent androgen receptor (AR) antagonist with an IC50 value of 6.17 μM. Androgen receptor antagonist 5 can effectively impair AR nuclear translocation, reducing the levels of nuclear AR, and disrupts AR-mediated gene regulation. Androgen receptor antagonist 5 has antiproliferative activity against LNCaP and exhibits antitumor activity in LNCaP xenograft tumor mice model. Androgen receptor antagonist 5 can be used for researching prostate cancer[1].

  • CAS Number: 2586195-28-8
  • MF: C21H15F4N5O3S
  • MW: 493.43
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-Cystamine-Poc

Boc-Cystamine-Poc (compound H4) is a click chemistry reagent with cystamine building block[1].

  • CAS Number: 2171512-56-2
  • MF: C13H22N2O4S2
  • MW: 334.45
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

sits

4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid disodium is a fluorescent dye. 4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid disodium can be used to demonstrate retrograde axonal transport to label secondary antibodies and as a fluorescent whole cell stain[1].

  • CAS Number: 51023-76-8
  • MF: C17H12N2Na2O7S3
  • MW: 498.461
  • Catalog: Others
  • Density: 1.52g/cm3
  • Boiling Point: N/A
  • Melting Point: >300ºC (dec.)
  • Flash Point: N/A

PBP 10

PBP10 is a cell permeable and selective gelsolin-derived peptide inhibitor of formyl peptide receptor 2 (FPR2) over FPR1[1]. PBP10 is a 10-AA peptide with rhodamine conjugated at its N terminus, exerts bactericidal activity against gram-positive and gram-negative bacteria and limits microbial-induced inflammatory effects[2].

  • CAS Number: 794466-43-6
  • MF: C84H127N24O15
  • MW: 1713.06
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ramifenazone-d7

Ramifenazone-d7 (Isopropylaminoantipyrine-d7) is the deuterium labeled Ramifenazone. Ramifenazone (Isopropylaminoantipyrine) is a pyrazole derivative and acts as a non-steroidal anti-inflammatory agent (NSAID). Ramifenazone has analgesic, antipyretic, anti-inflammatory and antimicrobial activities[1][2].

  • CAS Number: 1330180-51-2
  • MF: C14H12D7N3O
  • MW: 252.36
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azido-PEG7-alcohol

Azido-PEG7-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1274892-60-2
  • MF: C14H29N3O7
  • MW: 351.40
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Contezolid acefosamil sodium

Contezolid acefosamil sodium (MRX-4), a new and orally active oxazolidinone, is an antibiotic in study for complicated skin and soft tissue infections (cSSTI) caused by resistant Gram-positive bacteria. Contezolid acefosamil sodium (MRX-4) markedly reduces potential for myelosuppression and monoamine oxidase inhibition (MAOI)[1][2].

  • CAS Number: 1807365-35-0
  • MF: C20H17F3N4NaO8P
  • MW: 552.33
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-DPN

R)-DPN (compound 3) is a selective ERβ ligand with EC50s of 2.9, 0.8 nM for ERα and ERβ, respectively. (R)-DPN shows a very high affinity and potency preference for ERβ over ERα. (R)-DPN shows cytoxicity for HEC-1 and U2OS cells with EC50s of 286, 205 nM, respectively[1].

  • CAS Number: 524047-78-7
  • MF: C15H13NO2
  • MW: 239.269
  • Catalog: Endocrinology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 449.4±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 225.6±25.9 °C

2,3,4,5-Tetracaffeoyl-D-Glucaric acid

2,3,4,5-Tetracaffeoyl-D-Glucaric acid is a caffeoyl-D-glucaric acid derivative isolated from the Genus Gnaphalium[1].

  • CAS Number: 1419478-52-6
  • MF: C42H34O20
  • MW: 858.70736
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(2H7)Isoquinoline

Isoquinoline-d7 is the deuterium labeled Isoquinoline[1]. Isoquinoline is an analog of?pyridine. Isoquinoline structural-based alkaloids, such as tropoloisoquinoline, phthalideisoquinoline, and naphthylisoquinoline has anti-cancer activities[2].

  • CAS Number: 17157-12-9
  • MF: C9D7N
  • MW: 136.202
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 243.2±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 107.2±0.0 °C

PYRONINE B

Pyronin B is an organic cationic dye used for the staining of bacteria, mycobacteria and ribonucleic acids. Pyronin B is also used as a small hydrophobic (SH) protein channel inhibitor[1][2].

  • CAS Number: 2150-48-3
  • MF: C21H27ClN2O
  • MW: 358.905
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 174-176ºC
  • Flash Point: N/A

Danburstotug

Danburstotug (IMC-001) is an IgG1-lambda anti-CD274 (PDL1, B7 homologue 1, B7H1) humanized monoclonal antibody. Danburstotug also is immunostimulant and antineoplastic[1].

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

N-Methyl-L-leucine hydrochloride (1:1)

(S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride is a leucine derivative[1].

  • CAS Number: 66866-69-1
  • MF: C7H16ClNO2
  • MW: 181.660
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 159-165 °C
  • Flash Point: N/A

PGLa

PGLa is an antimicrobial peptide. PGLa is known to be bacteriostatic against both Gram-positive and Gram-negative bacteria.

  • CAS Number: 102068-15-5
  • MF: C88H162N26O22S
  • MW: 1968.45000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vasicinol

Vasicinol is a reversible inhibitor of sucrase (IC50: 250 μM). Vasicinol is a HbF inducer. Vasicinol also inhibits Angiotensin-converting Enzyme (ACE). Vasicinol is apyrroquinazoline alkaloid that can be isolated from Adhatoda vasica[1][2].

  • CAS Number: 5081-51-6
  • MF: C11H12N2O2
  • MW: 204.23
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 465.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 235.1±31.5 °C

Fosnetupitant (Pronetupitant)

Fosnetupitant (Pronetupitant) a methylene phosphate prodrug of Netupitant. Fosnetupitant (Pronetupitant) exhibits a pKi of 9.5 for human NK1 receptor[1].

  • CAS Number: 1703748-89-3
  • MF: C31H35F6N4O5P
  • MW: 688.598
  • Catalog: Neurokinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Glyoxalase I inhibitor 6

Glyoxalase I inhibitor 6 (Compound 9j) is a glyoxalase I (Glo-I) inhibitor with an IC50 of 1.13 μM. Glyoxalase I inhibitor 6 can be used as anticancer agent with low toxicity[1].

  • CAS Number: 2455508-19-5
  • MF: C18H15N3O5S
  • MW: 385.39
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MAP4K4-IN-17

MAP4K4-IN-17 is a potent and highly selective MAP4K4 inhibitor with IC50 of 14.9 nM, showes improved overall drug-like properties compared to PF-06260933; a lead compound for advanced preclinical development.

  • CAS Number: 1811510-58-3
  • MF: C15H12ClN5
  • MW: 297.746
  • Catalog: MAP4K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PAT-505

PAT-505 is a potent, selective, noncompetitive and orally available autotaxin inhibitor, with an IC50 of 2 nM in Hep3B cells, 9.7 nM in human blood and 62 nM in mouse plasma.

  • CAS Number: 1782070-22-7
  • MF: C23H18ClF2N3O2S
  • MW: 473.92
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

β-catenin peptide

β-catenin peptide is a 8-aa peptide, and can promote thymocyte positive selection.

  • CAS Number: 265669-37-2
  • MF: C49H76N12O15
  • MW: 1073.2
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azido-PEG5-Boc

Azido-PEG5-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1448451-72-6
  • MF: C16H31N3O7
  • MW: 377.433
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A