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

Nonylbenzene-PEG5-OH

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

  • CAS Number: 20636-48-0
  • MF: C25H44O6
  • MW: 440.61300
  • Catalog: PROTAC Linker
  • Density: 1.016g/cm3
  • Boiling Point: 541.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 281.1ºC

Benzyl-PEG1-Ms

Benzyl-PEG1-Ms is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 58841-52-4
  • MF: C10H16O5S
  • MW: 248.29600
  • Catalog: PROTAC Linker
  • Density: 1.218g/cm3
  • Boiling Point: 375.438ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 180.858ºC

Iminodiacetic acid

Iminodiacetic acid (IDA) is a chelating agent that strongly binds transition metals[1]. Iminodiacetic acid can be used for removal of toxic metal ions from water[2]. Iminodiacetic acid can serve as a biomarker to potentially predict the severity of ARDS (acute respiratory distress syndrome)[3].

  • CAS Number: 142-73-4
  • MF: C4H7NO4
  • MW: 133.10
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 370.6±27.0 °C at 760 mmHg
  • Melting Point: 243 °C (dec.)(lit.)
  • Flash Point: 177.9±23.7 °C

3-Epiursolic Acid

3-Epiursolic Acid is a triterpenoid isolated from Myrtaceae, acts as a competitive inhibitor of cathepsin L (ICIC50, 6.5 μM; Ki, 19.5 μM), with no obvious effect on cathepsin B[1].

  • CAS Number: 989-30-0
  • MF: C30H48O3
  • MW: 456.700
  • Catalog: Cathepsin
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 556.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 304.7±26.6 °C

Tiospirone

Tiospirone is a 5-HT2 receptor antagonist with affinity for D2, 5-HT1a, and 5-HT7, and sigma receptors. Tiospirone decreases consumption of ethanol while increasing food intake of rats. Tiospirone can also reduce the reinforcing properties of Cocaine exhibited in the conditioned place preference paradigm[1][2].

  • CAS Number: 87691-91-6
  • MF: C24H32N4O2S
  • MW: 440.60100
  • Catalog: 5-HT Receptor
  • Density: 1.29g/cm3
  • Boiling Point: 600.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 317.2ºC

8-Bromo-AMP

8-Bromo-AMP (8-Bromoadenosine 5'-monophosphate) is a membrane permeable cAMP analogue. 8-Bromo-AMP can improve the ability of the heart to recover from ischemia and reperfusion by increasing the levels of ATP, ADP, and total adenine nucleotides[1][2].

  • CAS Number: 23567-96-6
  • MF: C10H11BrN5O7P
  • MW: 424.10100
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vicagrel

Vicagrel, an acetate derivative of Clopidogrel, is a P2Y12 platelet inhibitor potentially for the treatment of thrombosis, the substrate of carboxylesterase 2 (CES2)[1]. Vicagrel demonstrates a favorable safety profile and excellent anti-platelet activity, which could be an anti-platelet drug and for the unmet medical needs of cardiovascular diseases[2].

  • CAS Number: 1314081-53-2
  • MF: C18H18ClNO4S
  • MW: 379.85800
  • Catalog: P2Y Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(13α)-11,15-Dihydroxykaur-16-en-18-oic acid

(4α,11β,15β)-11,15-Dihydroxykaur-16-en-19-oic acid is a compound isolated from the Tunisian Pulicaria laciniata (Coss.et Kral.) Thell. flowers[1].

  • CAS Number: 57719-76-3
  • MF: C20H30O4
  • MW: 334.45
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 512.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 277.9±26.6 °C

H-D-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr-NH2 (Disulfide bond between Cys2 and Pen7)

CTAP is a potent, highly selective, and brain penetrant μ opioid receptor antagonist (IC50=3.5 nM) and displays over 1200-fold selectivity over δ opioid (IC50=4500 nM) and somatostatin receptors. CTAP can be used for the study of L-DOPA-induced dyskinesia (LID)[1].

  • CAS Number: 103429-32-9
  • MF: C51H69N13O11S2
  • MW: 1104.304
  • Catalog: Opioid Receptor
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cucurbitadienol

Cucurbitadienol (10α-Cucurbitadienol) is a natural product that can be found in the seeds of Trichosanthes kirilowii. Cucurbitadienol exhibits anti-inflammatory effect[1].

  • CAS Number: 35012-08-9
  • MF: C30H50O
  • MW: 426.72
  • Catalog: Inflammation/Immunology
  • Density: 0.98±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lactoferricin H, Lactotransferrin (37-61), human

Lactoferricin H, Lactotransferrin (37-61), human is a biological active peptide. (This is an antimicrobial peptide derived from human lactotransferrin amino acid residues 37-61.)

  • CAS Number: 192198-43-9
  • MF: C129H212N44O34S3
  • MW: 3019.53
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

nepsilon-carbobenzoxy-nalpha-tosyl-l-lysine

Nε-Carbobenzoxy-Nα-tosyl-L-lysine is a lysine derivative[1].

  • CAS Number: 34235-82-0
  • MF: C21H26N2O6S
  • MW: 434.50600
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 123ºC
  • Flash Point: N/A

N-Acetyl-S-allyl-L-cysteine-d3

N-Acetyl-S-allyl-L-cysteine-d3 is the deuterium labeled Fluometuron[1].

  • CAS Number: 1331907-55-1
  • MF: C8H10D3NO3S
  • MW: 206.28
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 121-122°C
  • Flash Point: N/A

Suc-Val-Pro-Phe-SBzl

Suc-Val-Pro-Phe-SBzl (succinyl-valine-proline-phenylalanine thiobenzyl ester) is an inhibitor of CatG enzymes with IC50 values of 111-225 mM.

  • CAS Number: 95192-51-1
  • MF: C30H37N3O6S
  • MW: 567.69600
  • Catalog: Others
  • Density: 1.260±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 869.7±65.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

Chlorahololide C

Chlorahololide C, a lindenane sesquiterpenoid dimer, is isolated from Chloranthus holostegius. Chlorahololide C is a potent and selective potassium channel blocker, with an IC50 of 3.6 μM[1].

  • CAS Number: 1007859-25-7
  • MF: C33H36O9
  • MW: 576.633
  • Catalog: Potassium Channel
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 772.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 251.4±26.4 °C

Vorapaxar

Vorapaxar is a protease-activated receptor (PAR-1) antagonist that inhibits thrombin-induced platelet activation.

  • CAS Number: 618385-01-6
  • MF: C29H33FN2O4
  • MW: 492.582
  • Catalog: Protease-Activated Receptor (PAR)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 676.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 362.6±31.5 °C

N7-Methyl-guanosine-5'-triphosphate-5'-adenosine

N7-Methyl-guanosine-5'-triphosphate-5'-adenosine (m7GpppA) is a dinucleotide cap analog that can be used for in vitro RNA transcription[1].

  • CAS Number: 62828-63-1
  • MF: C21H29N10O17P3
  • MW: 786.43
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Methyl-L-phenylalanine

3-Amino-3-(m-tolyl)propanoic acid is a phenylalanine derivative[1].

  • CAS Number: 68208-17-3
  • MF: C10H13NO2
  • MW: 179.216
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 322.8±30.0 °C at 760 mmHg
  • Melting Point: 210-212ºC
  • Flash Point: 149.0±24.6 °C

Phevamine A

Novel suppressor of plant immune responses

  • CAS Number: 2280874-34-0
  • MF: C22H39N7O2
  • MW: 433.60
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Gly-BoroPro

Ac-Gly-BoroPro is a selective FAP inhibitor with a Ki of 23 nM.

  • CAS Number: 886992-99-0
  • MF: C8H15BN2O4
  • MW: 214.027
  • Catalog: Peptides
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MnTE-2-PyP chloride

MnTE-2-PyP (BMX-010) chloride is a ROS scavenger and potent radioprotector. MnTE-2-PyP also is a manganese porphyrin, protects normal prostate tissue from radiation damage. MnTE-2-PyP can be used for the research of diabetic prostate cancer[1].

  • CAS Number: 219818-60-7
  • MF: C48H44Cl5MnN8
  • MW: 965.12
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(-)-Aricine

Aricine ((-)-Aricine), an indole alkaloid, displays larvicidal activity[1].

  • CAS Number: 482-91-7
  • MF: C22H26N2O4
  • MW: 382.453
  • Catalog: Infection
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 553.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 288.3±30.1 °C

MBM-55

MBM-55 (compound 42g) is a potent NIMA-related kinase 2 (Nek2) inhibitor with an IC50 of 1 nM. MBM-55 shows a 20-fold or greater selectivity in most kinases with the exception of RSK1 (IC50=5.4 nM) and DYRK1a (IC50=6.5 nM). MBM-55 effectively inhibits the proliferation of cancer cells by inducing cell cycle arrest and apoptosis. MBM-55 shows antitumor activities, and no obvious toxicity to mice[1].

  • CAS Number: 2083622-09-5
  • MF: C28H27FN6O2
  • MW: 498.55
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anandamide

Anandamide is an immune modulator in the central nervous system acts via not only cannabinoid receptors (CB1 and CB2) but also other targets (e.g., GPR18/GPR55).

  • CAS Number: 94421-68-8
  • MF: C22H37NO2
  • MW: 347.535
  • Catalog: Cannabinoid Receptor
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 522.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 269.7±30.1 °C

7-O-Methyl morroniside

7-O-Methyl morroniside is an iridoid glycoside (IG) extracted from Cornus officinalis fructus, used in many traditional Chinese medicines[1].

  • CAS Number: 41679-97-4
  • MF: C18H28O11
  • MW: 420.40800
  • Catalog: Others
  • Density: 1.44±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

WWL 113

WWL113 is a selective and orally active Ces3 and Ces1f inhibitor, with IC50 values of 120 nM and 100 nM for Ces3 and Ces1f, respectively. WWL113 appears to show excellent selectivity for the 60-kDa serine hydrolase (or hydrolases)[1].

  • CAS Number: 947669-86-5
  • MF: C29H26N2O4
  • MW: 466.528
  • Catalog: Metabolic Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 630.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 335.4±31.5 °C

2’-O-Methyl-N2,N2-dimethyl-guanosine

2’-O-Methyl-N2,N2-dimethyl-guanosine 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: 113886-73-0
  • MF: C13H19N5O5
  • MW: 325.32
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CeMMEC2

CeMMEC2 is a novel potent BRD4 inhibitor with IC50 of 0.9 uM, binds to both bromodomains of BRD4, comparably to (S)-JQ1.

  • CAS Number: 902955-25-3
  • MF: C14H19N5
  • MW: 257.334
  • Catalog: Epigenetic Reader Domain
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antineoplaston A10

Antineoplaston A10, a naturally occurring substance in human body, is a Ras inhibitor potentially for the treatment of glioma, lymphoma, astrocytoma and breast cancer[1].

  • CAS Number: 91531-30-5
  • MF: C13H14N2O3
  • MW: 246.26
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HBV-IN-9

HBV-IN-9 is a potent HBsAg (HBV Surface antigen) inhibitor (IC50=10 nM) and HBV DNA production inhibitor (IC50=0.15 nM in HepG2.2.15 cells)[1]. From patent WO2018001952A1, example 20.

  • CAS Number: 2170998-69-1
  • MF: C22H24FN7O
  • MW: 421.47
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A