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

Mcl1-IN-9

Mcl1-IN-9 is a potent myeloid cell leukemia-1 (Mcl-1) Inhibitor with an IC50 of 446 nM in reengineered BCR-ABL+ B-ALL cells and a Ki of 0.03 nM[1].

  • CAS Number: 1810769-31-3
  • MF: C37H39ClN4O4
  • MW: 639.18
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Medicagenic acid

Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra L, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2].

  • CAS Number: 599-07-5
  • MF: C30H46O6
  • MW: 502.68300
  • Catalog: Bacterial
  • Density: 1.23g/cm3
  • Boiling Point: 635.9ºC at 760 mmHg
  • Melting Point: 380-382ºC (dec.)
  • Flash Point: 352.4ºC

Zabofloxacin

Zabofloxacin (DW-224a Free base) is a novel fluoronaphthyridone quinolone with a 7-pyrrolidone substituent that is considered a potent antibacterial candidate for clinical trials.Zabofloxacin (DW-224a Free base) has excellent activity against gram-positive pathogens including Steptococcus aureus , Streptococcus pyogenes and S.pneumonia.Zabofloxacin (DW-224a Free base) is considered as an alternative candidate for treatment of quinolone-susceptible (QSSP) and quinolone-resistant gonorrhea (QRSP)[1].

  • CAS Number: 219680-11-2
  • MF: C19H20FN5O4
  • MW: 401.392
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 658.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 352.2±34.3 °C

tibric acid

Tibric acid (CP 18524) has similar effects to those of hypolipidemic agents. Tibric acid has orally active triglyceride-lowering effects. Tibric acid can be used for research of hypertriglyceridemia[1][2].

  • CAS Number: 37087-94-8
  • MF: C14H18ClNO4S
  • MW: 331.82
  • Catalog: Metabolic Disease
  • Density: 1.331g/cm3
  • Boiling Point: 488.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Conteltinib

Conteltinib (CT-707) is a multi-kinase inhibitor targeting FAK, ALK, and Pyk2. Conteltinib (CT-707) exerts significant inhibitory effect on FAK with an IC50 of 1.6 nM[1].

  • CAS Number: 1384860-29-0
  • MF: C32H45N9O3S
  • MW: 635.82
  • Catalog: FAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PTC596

PTC596 is an orally active and selective B-cell-specific Moloney murine leukemia virus integration site 1 (BMI-1) inhibitor. PTC596 targets BMI1 expressed by both tumor cells and cancer stem cells (CSCs), and induces hyper-phosphorylation of BMI1, leading to its degradation. PTC596 downregulates MCL-1 and induces p53-independent mitochondrial apoptosis in acute myeloid leukemia progenitor cells[1][2].

  • CAS Number: 1610964-64-1
  • MF: C19H13F5N6
  • MW: 420.339
  • Catalog: Apoptosis
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 583.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.0±32.9 °C

Telmisartan Amide

PPARγ agonist 5 (Compound 1) is a potent and selective agonist of PPARγ. PPARγ agonist 5 has the potential for the research of cancer diseases[1].

  • CAS Number: 915124-86-6
  • MF: C33H31N5O
  • MW: 513.63
  • Catalog: PPAR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Panobinostat (LBH589)

Panobinostat is a non-selective histone deacetylase (HDAC) inhibitor.

  • CAS Number: 404950-80-7
  • MF: C21H23N3O2
  • MW: 349.426
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 114-117?C
  • Flash Point: N/A

KD-3010

KD3010 is a potent, orally active, and selective PPARδ agonist.

  • CAS Number: 934760-92-6
  • MF: C30H33F3N2O8S2
  • MW: 670.72
  • Catalog: PPAR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Axl-IN-5

Axl-IN-5 (compound 1) is a AXL inhibitor with an IC50 of 283 nM. Axl-IN-5 has anticancer effects[1].

  • CAS Number: 2642224-24-4
  • MF: C31H35N5O2S
  • MW: 541.71
  • Catalog: TAM Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bicarbonate-13C sodium

Bicarbonate-13C (sodium) is the 13C labeled Bicarbonate sodium[1].

  • CAS Number: 87081-58-1
  • MF: CHNaO3
  • MW: 84.99930
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: >300ºC(lit.)
  • Flash Point: N/A

3’-Azido-3’-deoxy-N6,N6-dimethyladenosine

3’-Azido-3’-deoxy-N6,N6-dimethyladenosine 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: 384334-64-9
  • MF: C12H16N8O3
  • MW: 320.31
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

WAY-119918

WAY-119918 is an active molecule.

  • CAS Number: 428831-87-2
  • MF: C14H20N2O
  • MW: 232.321
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 415.3±28.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 204.9±24.0 °C

ICI141292

ICI141292 is a potent β-adrenoceptor partial agonist with a greater affinity for β1- than β2-adrenoceptors.

  • CAS Number: 86880-51-5
  • MF: C20H23N3O4
  • MW: 369.41400
  • Catalog: Adrenergic Receptor
  • Density: 1.28g/cm3
  • Boiling Point: 689.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 370.9ºC

Micrococcin P1

Micrococcin P1 is a macrocyclic peptide antibiotic and is a potent hepatitis C virus (HCV) inhibitor with an EC50 range of 0.1-0.5 μM[1]. Micrococcin P1 has in vitro antibacterial activity against Gram-positive bacterial strains. The MIC values of Micrococcin P1 against S. aureus 1974149, E. faecalis 1674621 and S. pyogenes 1744264 are 2 μg/mL, 1 μg/mL and 1 μg/mL, respectively[2]. Micrococcin P1 is also a potent inhibitor of the malaria parasite Plasmodium falciparum[3].

  • CAS Number: 67401-56-3
  • MF: C48H49N13O9S6
  • MW: 1144.37000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

K6PC-5

K6PC-5, a synthetic ceramide derivative,is a direct sphingosine kinase 1(SPHK1) activator and elicites a rapid transient increase in intracellular calcium levels. K6PC-5 is used for the researches of skin diseases involving abnormal keratinocyte, neurodegeneration and virus infection[1][2][3].

  • CAS Number: 756875-51-1
  • MF: C19H37NO4
  • MW: 343.50100
  • Catalog: SPHK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SJFα

SJFα is a 13-atom linker PROTAC. SJFα degrades p38α with a DC50 of 7.16  nM, but is far less effective at degrading p38δ (DC50=299 nM) and does not degrade the other p38 isoforms (β and γ) at concentrations up to 2.5 µM[1].

  • CAS Number: 2254609-27-1
  • MF: C59H67F2N7O11S
  • MW: 1120.27
  • Catalog: p38 MAPK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EGFR-IN-40

EGFR-IN-40 (compound 3z) is a potent BTK, EGFR, and ITK inhibitor with IC50 values of 1.2 nM, 5.3 nM, and 46.1 nM, respectively[1].

  • CAS Number: 1466445-39-5
  • MF: C23H20N6O3
  • MW: 428.44
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 99

Anticancer agent 99 (compound 2p) has good anticancer activity against HepG2 cells, with an IC50 value of 35.9 μM. Anticancer agent 99 can induce apoptosis and has anti-proliferation effect[1].

  • CAS Number: 2914922-83-9
  • MF: C19H20F3N3O2
  • MW: 379.38
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myricananin A

Myricananin A is a colorless needle that has inhibitory effect on iNOS[1].

  • CAS Number: 1079941-35-7
  • MF: C20H24O5
  • MW: 344.402
  • Catalog: NO Synthase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 596.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.7±30.1 °C

1,4-Dichlorobenzene

1,4-Dichlorobenzene is used as an intermediate product in the manufacture of pigments, pesticides and disinfectants. 1,4-Dichlorobenzene is also employed as a moth control agent[1].

  • CAS Number: 106-46-7
  • MF: C6H4Cl2
  • MW: 147.002
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 174.1±0.0 °C at 760 mmHg
  • Melting Point: 52-54 °C(lit.)
  • Flash Point: 65.6±0.0 °C

MILRINONE LACTATE

Milrinone lactate is a potent inotropic dilating agent. Milrinone lactate shows simultaneous positive inotropic and vasodilating activities. Milrinone lactate promotes reduction of SVR and PVR in patients with DCM and NYHA class III and IV of heart failure. Milrinone lactate has the potential for the research of cardiovascular function after cardiac surgery and in septic shock[1][2].

  • CAS Number: 100286-97-3
  • MF: C15H15N3O4
  • MW: 301.297
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: 448.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 225.2ºC

Bifendatatum

Bifendate (DDB) is a synthetic intermediate of Schisandrin C with anti-HBV efficacy in research of chronic hepatitis B[1].

  • CAS Number: 73536-69-3
  • MF: C20H18O10
  • MW: 418.351
  • Catalog: HBV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 606.9±55.0 °C at 760 mmHg
  • Melting Point: 181 °C
  • Flash Point: 265.9±31.5 °C

RAD16-I

RAD16-I, a soft nanofibrous self-assembling peptide, is a suitable microenvironment for human mesenchymal stem cells’ (hMSC) proliferation and differentiation into chondrocytes[1]. RAD16-I is a well-studied ionic complementary peptide was used as a model to check potential amyloid-like staining properties of SAPNFs[2].

  • CAS Number: 289042-25-7
  • MF: C66H113N29O25
  • MW: 1712.78
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-p-trans-Coumaroyltyramine

N-p-trans-Coumaroyltyramine is a cinnamoylphenethyl amide isolated from polygonum hyrcanicum, acts as an acetylcholinesterase (AChE) inhibitor with an an IC50 of 122 μM. N-p-trans-Coumaroyltyramine exhibits anti-trypanosomal activity with an IC50 of 13.3 µM for T. brucei rhodesiense[1][2].

  • CAS Number: 36417-86-4
  • MF: C17H17NO3
  • MW: 283.322
  • Catalog: AChE
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 586.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 308.5±30.1 °C

SB 243213

SB 243213 hydrochloride is an orally active, selective and high-affinity 5-hydroxytryptamine (5-HT)2C receptor antagonist with a pKi of 9.37 and a pKb of 9.8 for human 5-HT2C receptor. SB 243213 hydrochloride has improved anxiolytic profile and has the potential for schizophrenia and motor disorders[1].

  • CAS Number: 200940-22-3
  • MF: C22H19F3N4O2
  • MW: 428.40700
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hexadimethrine bromide

Hexadimethrine bromide is a cationic polymer discovered to enhance retroviral transduction.

  • CAS Number: 28728-55-4
  • MF: C15H36Br2N2
  • MW: 404.27
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: 209.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 73.9ºC

KRAS G12D inhibitor 16

KRAS G12D inhibitor 16 is a KRAS G12D inhibitor. KRAS G12D inhibitor 16 has inhibitory activity against KRAS G12D and KRAS G12D mutation with IC50 value of 0.7 nM and 0.35 μM, respectively. KRAS G12D inhibitor 16 can be used for the research of many malignant tumor, such as pancreatic ductal adenocarcinomas (PDAC), colon and rectal carcinomas (CRC), non-small cell lung carcinomas (NSCLC)[1].

  • CAS Number: 2648221-12-7
  • MF: C32H39IN6O3
  • MW: 682.59
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PE859

PE859 is a potent inhibitor of both tau and Aβ aggregation with IC50 values of 0.66 and 1.2 μM, respectively.

  • CAS Number: 1402727-29-0
  • MF: C28H24N4O2
  • MW: 448.516
  • Catalog: Microtubule/Tubulin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 747.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 249.8±23.1 °C

1-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-fluoro-pyrimidine-2,4-dione

5-Fluoro-4’-thiouridine 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: 56527-42-5
  • MF: C9H11FN2O5S
  • MW: 278.26
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.78g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A