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

N(3)-allyluridine

N3-Allyluridine is a uridine analog. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1].

  • CAS Number: 103951-13-9
  • MF: C12H16N2O6
  • MW: 284.27
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.496g/cm3
  • Boiling Point: 513.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 264.3ºC

BSJ-04-122

BSJ-04-122 is a potent, selective, covalent dual MKK4/7 inhibitor with IC50 of 4/181 nM, displays excellent kinome selectivity;BSJ-04-122 covalently targets a conserved cysteine (Cys247 for MKK4, and Cys261 for MKK7) located before the DFG motif.SJ-04-122 exhibits potent cellular target engagement and induces robust target-specific downstream effects.In breast cancer cell lines, BSJ-04-122 potently inhibited JNK phosphorylation, BSJ-04-122 significantly decreased levels of T183/Y185 pJNK at 5 uM, resulting in complete inhibition at 10 uM in MDA-MB-231 cells.The combination of the dual MKK4/7 inhibitor BSJ-04-122 with a selective, covalent JNK inhibitor (JNK-IN-8) demonstrated an enhanced antiproliferative activity against triple-negative breast cancer cells.

  • CAS Number: 2513289-74-0
  • MF: C15H12ClN5O
  • MW: 313.745
  • Catalog: p38 MAPK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMV-390048

MMV390048 is a representative of a new chemical class of Plasmodium PI4K inhibitor (Kdapp=0.3 µM). MMV390048 binds to the ATP binding site of Plasmodium PI4K and does not bind to other P. falciparum and human kinases apart from human PIP4K2C, thus alleviating potential kinase-mediated safety concerns. MMV390048 is an antimalarial agent[1].

  • CAS Number: 1314883-11-8
  • MF: C18H14F3N3O2S
  • MW: 393.383
  • Catalog: Parasite
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 534.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 277.0±30.1 °C

Aucubin

Aucubin is an iridoid glycoside with a wide range of biological activities, including anti-inflammatory, anti-microbial, anti-algesic as well as anti-tumor activities.IC50 value:Target:In vitro: Aucubin promotes neuronal differentiation and neurite outgrowth in neural stem cells cultured primarily from the rat embryonic hippocampus [1]. Aucubin significantly reversed the elevated gene and protein expression of MMP-3, MMP-9, MMP-13, iNOS, COX-2 and the production of NO induced by IL-1β challenge in rat chondrocytes [2]. In vivo:

  • CAS Number: 479-98-1
  • MF: C15H22O9
  • MW: 346.330
  • Catalog: Inflammation/Immunology
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 669.0±55.0 °C at 760 mmHg
  • Melting Point: 180 - 184ºC
  • Flash Point: 358.4±31.5 °C

5-BDBD

5-BDBD, a potent and selective P2X4 receptor antagonist, inhibits rP2X4R-mediated currents, with an IC50 of 0.75 μM. 5-BDBD completely blocks the basal and acute hyperalgesia induced by nitroglycerin (NTG)[1][2].

  • CAS Number: 768404-03-1
  • MF: C17H11BrN2O2
  • MW: 355.18500
  • Catalog: P2X Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Geranyloxy-6-methoxycoumarin

7-O-Geranylscopoletin is a coumarin from the root of Atalantia monophylla. Various parts of this plant have been used for folk medicine for several purposes such as the treatment of chronic rheumatism, paralysis, antispasmodic, stimulant and hemiplegia[1].

  • CAS Number: 28587-43-1
  • MF: C20H24O4
  • MW: 328.402
  • Catalog: Metabolic Disease
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 487.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 213.2±28.8 °C

JMJD6-IN-1

JMJD6-IN-1 (Compound 1-3) is a JMJD6 inhibitor, with an inhibition rate of 82% at 10 μM. JMJD6-IN-1 inhibits MCF-7 and HCC4006 cell proliferation with IC50s of 19.2 μM and 25.2 μM. JMJD6-IN-1 can be used for research of cancers[1].

  • CAS Number: 899548-78-8
  • MF: C16H11N3O2
  • MW: 277.28
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine, 3-bromo-2,5-dimethoxy-, hydrobromide (1:1), (7R)

(R)-TCB2 is the R-enantiomer of TCB2. TCB2 is a potent anti-human interleukin-2 antibody, facilitates heterodimeric IL-2 receptor signaling and improves anti-tumor immunity[1].

  • CAS Number: 912342-36-0
  • MF: C11H15Br2NO2
  • MW: 353.05000
  • Catalog: Interleukin Related
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PHA690509

PHA-690509 is an anti-ZikV compound that inhibits ZikV replication. PHA-690509 is also a CDK inhibitor, and inhibits caspase-3 activity[1][2].

  • CAS Number: 492445-28-0
  • MF: C17H21N3O2S
  • MW: 331.432
  • Catalog: Caspase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Amredobresib

Amredobresib is a potent inhibitor of BET. Amredobresib inhibits the binding of bromodomains to acetylated lysines on histone H3 and H4 and thus acts as important regulators of gene transcription. Amredobresib is useful for the research of acute myeloid leukemia (AML) and cancer (extracted from patent WO2019145410A1 and WO2021175824A1)[1].

  • CAS Number: 1610044-98-8
  • MF: C26H29N9
  • MW: 467.57
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-Thr(tBu)-OH

Fmoc-Thr(tBu)-OH is a threonine derivative[1].

  • CAS Number: 71989-35-0
  • MF: C23H27NO5
  • MW: 397.464
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 581.7±50.0 °C at 760 mmHg
  • Melting Point: 131-134 °C
  • Flash Point: 305.6±30.1 °C

LIMK-IN-22j

LIMK-IN-1 (Compound 14) is an inhibitor of LIM-Kinase (LIMK), with IC50s of 0.5 nM and 0.9 nM for LIMK1 and LIMK2, respectively. LIMK-IN-1 can be used for ocular hypertension and associated glaucoma research[1].

  • CAS Number: 1116571-01-7
  • MF: C20H21BrN8
  • MW: 453.34
  • Catalog: LIM Kinase (LIMK)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vistusertib (AZD2014)

Vistusertib (AZD2014) is an ATP competitive mTOR inhibitor with an IC50 of 2.81 nM. AZD2014 inhibits both mTORC1 and mTORC2 complexes.

  • CAS Number: 1009298-59-2
  • MF: C25H30N6O3
  • MW: 462.544
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ELX-02 sulfate

ELX-02 sulfate (NB-124 sulfate) is an investigational, advanced synthetic eukaryotic ribosome selective glycoside (ERSG). ELX-02 sulfate is being developed as a therapy for genetic diseases caused by nonsense mutations[1].

  • CAS Number: 1375073-94-1
  • MF: C19H40N4O14S
  • MW: 580.60
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phytosphingosine

Phytosphingosine is a phospholipid and has anti-cancer activities. Phytosphingosine induces cell apoptosis via caspase 8 activation and Bax translocation in cancer cells[1].

  • CAS Number: 554-62-1
  • MF: C18H39NO3
  • MW: 317.507
  • Catalog: Apoptosis
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 483.7±40.0 °C at 760 mmHg
  • Melting Point: 102ºC
  • Flash Point: 246.4±27.3 °C

PTP1B-IN-9

PTP1B-IN-9 is a ubiquitin-proteasome system (UPS)-stressor. PTP1B-IN-9 inhibits ubiquitin-mediated protein degradation upstream of the 20S proteasomal catalytic activites. PTP1B-IN-9 triggers a ubiquitin-proteasome-system (UPS)-stress response without affecting 20S proteasome catalytic activities. Anticancer activity[1].

  • CAS Number: 145888-79-5
  • MF: C19H13Cl4NO
  • MW: 413.12500
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DPP-4-IN-2

DPP-4-IN-2 (compound b2) is a potent DPP-4 (dipeptidyl peptidase 4) inhibitor, with an IC50of 79 nM. DPP-4-IN-2 is a structurally analogs of Alogliptin (HY-A0023A). DPP-4-IN-2 can be used for diabetes research[1].

  • CAS Number: 2133900-95-3
  • MF: C18H18N6O
  • MW: 334.38
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,3-Dicaffeoylquinic acid

1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity.

  • CAS Number: 19870-46-3
  • MF: C25H24O12
  • MW: 516.451
  • Catalog: Akt
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 819.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.1±27.8 °C

Boc-Asp(OBzl)-OSu

Boc-Asp(OBzl)-OSu is an aspartic acid derivative[1].

  • CAS Number: 13798-75-9
  • MF: C20H24N2O8
  • MW: 420.413
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 98-102ºC
  • Flash Point: N/A

Driselase

Driselase, a complex mixt. of wall-digesting enzymes, is a specific commercial fungal protoplasting enzyme preparation. Driselase is by far the most potent of the enzymes tested for polysaccharide digestion and greatly increases both tensile and indentation compliances, yet it does not induce wall creep, even after 6 h of digestion[1].

  • CAS Number: 85186-71-6
  • MF: C2H5N3O2
  • MW: 103.080001831055
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ASGPR ligand-1

ASGPR ligand-1 is an asialoglycoprotein receptor (ASGPR) ligand compound. ASGPR ligand-1 can be used for kinds of diseases research[1].

  • CAS Number: 1426160-58-8
  • MF: C61H110N10O27
  • MW: 1415.58
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tauroursodeoxycholic acid

Tauroursodeoxycholate is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK.

  • CAS Number: 14605-22-2
  • MF: C26H45NO6S
  • MW: 499.70
  • Catalog: Caspase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 496.4ºC at 760mmHg
  • Melting Point: 173-175°C
  • Flash Point: 214.2ºC

Drp1-IN-1

Drp1-IN-1 (comp A-7) is a dynamin-1-like protein (Drp1) inhibitor, with an IC50 of 0.91 μM[1].

  • CAS Number: 2247733-08-8
  • MF: C22H24N8OS
  • MW: 448.54
  • Catalog: Dynamin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SN 2

SN 2 is a novel and potent activator of TRPML3 ion channel with EC50 of 1.8±0.13 μM.

  • CAS Number: 823218-99-1
  • MF: C17H21NO
  • MW: 255.355
  • Catalog: TRP Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 370.8±52.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 144.5±23.2 °C

Fmoc-Tyr(tBu)-OPfp

Fmoc-Tyr(tBu)-OPfp is a tyrosine derivative[1].

  • CAS Number: 86060-93-7
  • MF: C34H28F5NO5
  • MW: 625.58200
  • Catalog: Others
  • Density: 1.334 g/cm3
  • Boiling Point: 713.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

ajugose

Ajugose is a hexasaccharide that can be isolated from in the seeds of Vigna mungo L.[1].

  • CAS Number: 512-72-1
  • MF: C36H62O31
  • MW: 990.86
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VU 0255035

VU 0255035 is a highly selective, competitive and brain penetrant muscarinic M1 receptor antagonist with an IC50 of 130 nM. VU 0255035 reduces pilocarpine-induced seizures in mice. VU0255035 is used to examine the role of the M1 receptor in diverse situations[1].

  • CAS Number: 1135243-19-4
  • MF: C18H20N6O3S2
  • MW: 432.52000
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: 689.3±65.0°C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Punicalagin

Punicalagin is a polyphenol ingredient isolated from Pomegranate (Punica granatum L.) or the leaves of Terminalia catappa L.. Punicalagin is a anti-hepatitis B virus (HBV) agent and has antioxidant, anti-inflammatory, and anticancer effects[1][2][3].

  • CAS Number: 65995-63-3
  • MF: C48H28O30
  • MW: 1084.718
  • Catalog: HBV
  • Density: 2.1±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2 nsp13-IN-2

SARS-CoV-2 nsp13-IN-2 (Compound C2) is a SARS-CoV-2 non-structural protein 13 (nsp13) small-molecule inhibitor with an IC50 of 42 μM against nsp13 ssDNA+ ATPase[1].

  • CAS Number: 522660-61-3
  • MF: C20H18N6OS2
  • MW: 422.53
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FAK-IN-7

FAK-IN-7 (compound 5r) is a FAK inhibitor (IC50=11.72 µM). FAK-IN-7 has good anti-proliferative activity and can be used in cancer research[1].

  • CAS Number: 19948-85-7
  • MF: C16H13N3OS
  • MW: 295.36
  • Catalog: FAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A