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

Uvaretin

A mixture of uvaretin and isouvaretin (HY-N10130) exhibits significant antibacterial activity against B. subtilis (EC50 8.7 μM) and S. epidermidis (IC50 7.9 μM).

  • CAS Number: 58449-06-2
  • MF: C23H22O5
  • MW: 378.42
  • Catalog: Bacterial
  • Density: 1.274g/cm3
  • Boiling Point: 620.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 217.8ºC

Oxyepiberberine

8-Oxoepiberberine is an alkaloid metabolite in the plasma after oral administration of Zuojin formula, a traditional chinese medicine used to treat gastrointestinal disease[1].

  • CAS Number: 19716-60-0
  • MF: C20H17NO5
  • MW: 351.353
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 603.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 318.7±31.5 °C

3-Azetidinemethanol hydrochloride

3-Azetidinemethanol hydrochloride, a medical intermediate, can be used in the synthesis of SHP2 inhibitor[1].

  • CAS Number: 928038-44-2
  • MF: C4H10ClNO
  • MW: 123.581
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cbz-beta-Amino-L-alanine

N-Carbobenzyloxy--amino-L-alanine is an alanine derivative[1].

  • CAS Number: 35761-26-3
  • MF: C11H14N2O4
  • MW: 238.240
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 463.8±45.0 °C at 760 mmHg
  • Melting Point: 240ºC (dec.)
  • Flash Point: 234.3±28.7 °C

biperiden lactate

Biperiden (KL 373) lactate is an orally active non-selective muscarinic receptor antagonist that competitively binds to M1 muscarinic receptors. Biperiden (KL 373) lactate inhibits acetylcholine and enhances dopamine signaling in the central nervous system. Biperiden (KL 373) lactate has the potential for the research of Parkinson's disease and other related psychiatric disorders[1][2].

  • CAS Number: 7085-45-2
  • MF: C24H35NO4
  • MW: 401.53900
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: 462.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 224.5ºC

Tomatidine

Tomatidine acts as an anti-inflammatory agent by blocking NF-κB and JNK signaling.

  • CAS Number: 77-59-8
  • MF: C27H45NO2
  • MW: 415.652
  • Catalog: JNK
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 527.2±25.0 °C at 760 mmHg
  • Melting Point: 210.5℃
  • Flash Point: 272.7±23.2 °C

Fexofenadine

Fexofenadine (MDL-16455) is an orally active and nonsedative H1 receptor antagonist. Fexofenadine can be used in allergic rhinitis and chronic idiopathic urticarial research[1][2][3].

  • CAS Number: 83799-24-0
  • MF: C32H39NO4
  • MW: 501.656
  • Catalog: Histamine Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 697.3±55.0 °C at 760 mmHg
  • Melting Point: 218-220ºC
  • Flash Point: 375.5±31.5 °C

2-((2,4-Dimethylphenyl)amino)acetic acid

2-((2,4-Dimethylphenyl)amino)acetic acid is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 66947-32-8
  • MF: C10H13NO2
  • MW: 179.216
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 368.5±30.0 °C at 760 mmHg
  • Melting Point: 144-145℃
  • Flash Point: 176.7±24.6 °C

Kanshone H

Kanshone H (compound 6) is a sesquiterpene compound isolated from the underground parts of spikenard[1].

  • CAS Number: 1445952-33-9
  • MF: C15H20O
  • MW: 216.319
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HLCL-61 (hydrochloride)

HLCL-61 hydrochloride is a first-in-class small-molecule inhibitor of PRMT5. Target: PRMT5in vitro: HLCL-61 shows effective inhibition of symmetric arginine dimethylation (me2) of histones H3 and H4 in AML samples, starting at 12 h post-treatment and persisting after 48 h. Treatment of AML cell lines (MV4-11 and THP-1) and primary blasts with HLCL-61 also resulted in a decrease of cell viability. HLCL-61 is also effective in promoting apoptosis in MV4-11 and THP-1 cells after 48 h.[1]

  • CAS Number: 1158279-20-9
  • MF: C23H25ClN2O
  • MW: 380.910
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TAO Kinase inhibitor 2

TAO Kinase inhibitor 2 (Example 49) is a TAO Kinase inhibitor (IC50=between 50 and 500 nM). TAO Kinase inhibitor 2 also inhibits KIAA1361 and JIK with IC50s of 50-500 nM[1].

  • CAS Number: 850467-77-5
  • MF: C25H24N2O3
  • MW: 400.47
  • Catalog: Ser/Thr Protease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 665.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 356.3±31.5 °C

Factor XI-IN-1

Factor XI-IN-1 (Compound 27) is a factor XI activation inhibitor with an EC50 of 25.14 nM[1].

  • CAS Number: 2720619-72-5
  • MF: C30H38N4O2
  • MW: 486.65
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ligularine

Ligularine is a natural pyrrolizidine alkaloid compound[1].

  • CAS Number: 275816-42-7
  • MF: C23H31NO9
  • MW: 465.49
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tubulysin I

Tubulysin I is a highly cytotoxic peptide isolated from the myxobacterial species Archangium geophyra and Angiococcus disciformis. Tubulysin displays extremely potent cytotoxic activity in mammalian cells, including multidrug-resistant cell lines, with IC50 values in the lower nanomolar range[1]. Tubulysin I is a cytotoxic activity tubulysin which inhibits tubulin polymerization and leads to cell cycle arrest and apoptosis[2].

  • CAS Number: 799822-10-9
  • MF: C40H59N5O10S
  • MW: 801.99
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TRC-766

TRC-766 is a negative control of RTC-5 (TRC-382). TRC-766 binds protein phosphatase 2A (PP2A) and does not activate the phosphatase[1].

  • CAS Number: 1810734-44-1
  • MF: C25H24ClF3N2O3S
  • MW: 524.98
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hexamethylquercetagetin

Hexamethylquercetagetin is a polymethoxylated flavone in peels of citrus cultivars.

  • CAS Number: 1251-84-9
  • MF: C21H22O8
  • MW: 402.39500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 142-144 °C
  • Flash Point: N/A

Carboxyatractyloside

Carboxyatractyloside is a toxic natural product, acts as an inhibitor of ADP/ATP carrier, inhibits mitochondrial ADP/ATP transport[1].

  • CAS Number: 77228-71-8
  • MF: C31H43K3O18S2
  • MW: 770.816
  • Catalog: Others
  • Density: 1.58±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bedaquiline

Bedaquiline is a diarylquinoline antibiotic that inhibits mycobacterial ATP synthase.

  • CAS Number: 843663-66-1
  • MF: C32H31BrN2O2
  • MW: 555.50
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 702.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 378.8±32.9 °C

Fesoterodine L-mandelate

Fesoterodine L-mandelate is an orally active, nonsubtype selective, competitive muscarinic receptor (mAChR) antagonist with pKi values of 8.0, 7.7, 7.4, 7.3, 7.5 for M1, M2, M3, M4, M5 receptors, respectively. Fesoterodine L-mandelate is used for the overactive bladder (OAB)[1][2].

  • CAS Number: 1206695-46-6
  • MF: C34H45NO6
  • MW: 563.72400
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NMDA receptor antagonist 2

NMDA receptor antagonist 2 is a potent and orally active NR2B subtype-selective NMDA antagonist with an IC50 and a Ki of 1.0 nM and 0.88 nM, respectively. NMDA receptor antagonist 2 is used for the study of neuropathic pain and Parkinson’s disease[1].

  • CAS Number: 875898-41-2
  • MF: C20H21N7O
  • MW: 375.43
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nemoralisin

Nemoralisin is a natural acyclic diterpenoid[1].

  • CAS Number: 942480-13-9
  • MF: C20H28O4
  • MW: 332.434
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 494.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 215.8±28.8 °C

UR-MB108

UR-MB108 (Compound 57) is a potent, selective ABCG2 (BCRP) inhibitor with an IC50 of 79 nM. UR-MB108 is stable in blood plasma[1].

  • CAS Number: 2412461-98-2
  • MF: C40H38N6O4
  • MW: 666.77
  • Catalog: BCRP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cerulenin

Cerulenin, the best known natural inhibitor of fatty acid synthase (FAS), is an epoxide produced by the fungus Cephalosporium caeruleus.

  • CAS Number: 17397-89-6
  • MF: C12H17NO3
  • MW: 223.268
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 456.1±45.0 °C at 760 mmHg
  • Melting Point: 93.5℃
  • Flash Point: 241.1±25.0 °C

(S,S)-Valifenalate

(S,S)-Valifenalate ((S,S)-IR5885) is an acylamino acid fungicide and is used to control a wide range of fungi belonging to the class of Oomycetes. (S,S)-Valifenalate ((S,S)-IR5885) interferes with the cell-wall synthesis thus affecting the growth stages of the pathogens controlled, both outside (on the spores) or inside the plant (on the mycelium)[1].

  • CAS Number: 283159-94-4
  • MF: C19H27ClN2O5
  • MW: 398.88
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cergutuzumab amunaleukin

Cergutuzumab amunaleukin (CEA-IL2v) is a monomeric carcinoembryonic antigen (CEA)-targeted IL-2 variant-based immunocytokine. Cergutuzumab amunaleukin has immunostimulating and antineoplastic activities[1].

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

TC-S 7003

Lck Inhibitor is a new class of compounds that are potent inhibitors of Lck with an IC50 value of 7 nM.IC50 Value: 7 nM [1]Target: Lckin vitro: Lck Inhibitor (compound 25) exhibited good potency in the T-cell receptor-induced IL-2 secretion assay (IL- 2) and also inhibited subsequent T-cell proliferation (T-cell prolif.) in the same human T -cells.in vivo: A once daily dose of 25was administered orally at 10, 30, and 60 mg/kg from day 9 today 17. Paw volume was measured daily from day 9 through day 18. The compound showed a dose-dependent inhibition of arthritis, with an ED50 estimated at 24 mg/kg (Figure 6). Based on the measured plasma levels from the three dose groups, the exposure of 25 at the ED50 was estimated to be 2.7 μM·h (Cmax≈ 0.7 μM) [1].Clinical trial: N/A

  • CAS Number: 847950-09-8
  • MF: C31H30N8O
  • MW: 530.62300
  • Catalog: Src
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-06855800

PRMT5-IN-2 is a rotein arginine methyltransferase 5 (PRMT5) inhibitor extracted from patent WO2018130840A1, compound 3[1].

  • CAS Number: 1989620-04-3
  • MF: C17H16ClFN4O4
  • MW: 394.78
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methotrexate

RS4317 is a topically effective 5-lipoxygenase (5-LO) inhibitor.

  • CAS Number: 91431-42-4
  • MF: C16H15ClO6
  • MW: 338.74000
  • Catalog: 5-Lipoxygenase
  • Density: 1.309g/cm3
  • Boiling Point: 424.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 159.3ºC

dictyostatin

Dictyostatin ((-)-Dictyostatin; Dictyostatin 1) is a potent microtubule stabilizing agent. Dictyostatin also is a anti-cancer agent. Dictyostatin shows antiproliferative activity. Dictyostatin has the potential for the research of tauopathies[1][2][3].

  • CAS Number: 156312-07-1
  • MF: C32H52O6
  • MW: 532.75200
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Octyl gallate

Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2].

  • CAS Number: 1034-01-1
  • MF: C15H22O5
  • MW: 282.33
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 482.9±40.0 °C at 760 mmHg
  • Melting Point: 101-104 °C(lit.)
  • Flash Point: 177.1±20.8 °C