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

Withaphysalin R

Withaphysalin R (compound 5) is a Withanolide that can be isolated from the Solanaceae. Withanolide is a steroid ester with an ergosterol skeleton, and some of these compounds have some significant activities, including cytotoxic and immunosuppressive, antitumor, anti-inflammatory, anticonvulsive, and antioxidant[1].

  • CAS Number: 949172-12-7
  • MF: C29H40O7
  • MW: 500.62
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antibacterial agent 46

Antibacterial agent 46 is an antibacterial agent extracted from patent WO2013030735A1, example 9. Antibacterial agent 46 can be used for the research of bacterial infections[1].

  • CAS Number: 1426572-51-1
  • MF: C14H13N6NaO7S
  • MW: 432.34
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC 694621

NSC 694621 is a potent PCAF inhibitor, with an IC50 of 5.71 µM (PCAF/H31-21). NSC 694621 exhibits good activity of inhibiting the proliferation of cancer cells[1].

  • CAS Number: 104857-29-6
  • MF: C13H10N2O2S
  • MW: 258.30
  • Catalog: Histone Acetyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SCH 563705

SCH 563705 is a potent and orally available CXCR2 and CXCR1 antagonist, with IC50s of 1.3 nM, 7.3 nM and Kis of 1 and 3 nM, respectively.

  • CAS Number: 473728-58-4
  • MF: C23H27N3O5
  • MW: 425.47800
  • Catalog: CXCR
  • Density: 1.29g/cm3
  • Boiling Point: 555.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 290ºC

sEH/AChE-IN-4

sEH/AChE-IN-4 (compound (+)-15) is a potent and BBB-penetrated dual inhibitor of sEH (soluble epoxide hydrolase) and AChE (acetylcholinesterase), with IC50 values of 3.1 nM (hsEH), 1660 nM (hAChE), 179 nM (hBChE, human butyrylcholinesterase), 14.5 nM (msEH), and 102 nM (mAChE), respectively[1].

  • CAS Number: 2490589-12-1
  • MF: C35H39ClF3N5O3
  • MW: 670.16
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mapenterol-d6 hydrochloride

Mapenterol-d6 hydrochloride is the deuterium labeled Mapenterol hydrochloride. Mapenterol hydrochloride is a type of β2-adrenoceptor agonist[1][2].

  • CAS Number: 1246816-02-3
  • MF: C14H15D6Cl2F3N2O
  • MW: 330.81
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tritoqualine

Tritoqualine is used as a histidine decarboxylase inhibitor.

  • CAS Number: 14504-73-5
  • MF: C26H32N2O8
  • MW: 500.54100
  • Catalog: Inflammation/Immunology
  • Density: 1.296g/cm3
  • Boiling Point: 647.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 345.2ºC

Tiodazosin

Tiodazosin is a potent competitive postsynaptic alpha adrenergic receptor antagonist.

  • CAS Number: 66969-81-1
  • MF: C18H21N7O4S
  • MW: 431.46900
  • Catalog: Adrenergic Receptor
  • Density: 1.5g/cm3
  • Boiling Point: 690.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 371.2ºC

Methyltetrazine-PEG8-PFP ester

Methyltetrazine-PEG8-PFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2353409-49-9
  • MF: C34H43F5N4O11
  • MW: 778.72
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Ile-Pro-Pro-OH

H-Ile-Pro-Pro-OH, a milk-derived peptide[1], inhibits angiotensin-converting enzyme (ACE)[1] with an IC50 of 5 μM[2]. Antihypertensive tripeptides[1].

  • CAS Number: 26001-32-1
  • MF: C16H27N3O4
  • MW: 325.40
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.248 g/cm3
  • Boiling Point: 572.556ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 300.071ºC

KWAR 23

KWAR23 is an anti-human SIRPα antibody. KWAR23 binds human SIRPα with high affinity and disrupts its binding to CD47. KWAR23 shows antitumor activity in combination with tumor-opsonizing antibodies and can be used in cancer immunotherapy research[1].

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

Lepunafusp alfa

Lepunafusp alfa (JR-171) is a BBB-penetrable fusion protein consisting of J-Brain Cargo and IDUA (a lysosomal enzyme, α-L-iduronidase). Lepunafusp alfa can reduce concentration of heparan sulfate (HS) and dermatan sulfate (DS). Lepunafusp alfa can be used for research of mucopolysaccharidosis type I[1][2].

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

SARS-CoV-2 Mpro-IN-1

SARS-CoV-2 Mpro-IN-1 (compound 16b-3) is a potent, selective and irreversible inhibitor of SARS-CoV-2 main protease (Mpro), with an IC50 of 116 nM[1].

  • CAS Number: 2758359-91-8
  • MF: C15H11FN2O2S
  • MW: 302.32
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-D-Asp(OcHex)-OH

Boc-D-Asp(OcHex)-OH is an aspartic acid derivative[1].

  • CAS Number: 112898-18-7
  • MF: C15H25NO6
  • MW: 315.36200
  • Catalog: Others
  • Density: 1.18g/cm3
  • Boiling Point: 487.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 248.4ºC

2,4-D sodium salt

2,4-D sodium salt (Sodium 2,4-dichlorophenoxyacetate) is a selective systemic herbicide for the control of broad-leaved weeds. 2,4-D sodium salt acts as a plant hormone, causing uncontrolled growth in the meristematic tissues. 2,4-D sodium salt inhibits DNA and protein synthesis and thereby prevents normal plant growth and development[1].

  • CAS Number: 2702-72-9
  • MF: C8H5Cl2NaO3
  • MW: 243.019
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: 345.6ºC at 760 mmHg
  • Melting Point: 215°C
  • Flash Point: 162.8ºC

Shanzhiside methylester

Shanzhiside methy lester is isolated from L. rotata. Shanzhiside methyl ester is a small molecule glucagon-like peptide-1 (GLP-1) receptor agonist and has the ability to induce anti-allodynic tolerance[1].

  • CAS Number: 64421-28-9
  • MF: C17H26O11
  • MW: 406.382
  • Catalog: Glucagon Receptor
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 651.4±55.0 °C at 760 mmHg
  • Melting Point: 90ºC (dec.)
  • Flash Point: 233.0±25.0 °C

Mps1-IN-1

Mps1-IN-1 is a potent, selective and ATP-competitive Mps1 kinase inhibitor, with an IC50 and a Kd of 367 nM and 27 nM.

  • CAS Number: 1125593-20-5
  • MF: C28H33N5O4S
  • MW: 535.65800
  • Catalog: Mps1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Darifenacin

Darifenacin(UK88525) is a selective M3 muscarinic receptor antagonist with pKi of 8.9.IC50 value: 8.9 (pKi) [1]Target: M3 receptorin vitro: Darifenacin exerts non-parallel rightward displacement of the agonist curve and also significant depression of the maximum response (+)-cis-Dioxolane produced concentration-dependent contraction of the isolated bladder of rat [1]. Darifenacin produces a concentration dependent increase in R123 (P-gp probe) accumulation in MDCK cells. Darifenacin stimulates ATPase activity in P-gp membrane in a clear concentration dependent response manner with an estimated ED50 value of 1.6 μM. Darifenacin (100 nM) shows a significantly greater permeability for darifenacin in the basolateral to apical direction resulting in an efflux ratio in BBMEC monolayers of approximately 2.6 [2].in vivo: Darifenacin produces dose-dependent inhibition of amplitude of volume-induced bladder contractions(VIBCAMP), producing 35% inhibition at dose of 283.3 nmol/kg and maximal inhibition of approximately 50–55% [1]. Darifenacin (0.1 mg/kg i.v.) reduces bladder afferent activity in both Aδ and C fibers in female Sprague-Dawley rats, the decrease in afferent spikes in C fibers may be more pronounced than that in Aδ fibers [3].

  • CAS Number: 133099-04-4
  • MF: C28H30N2O2
  • MW: 426.550
  • Catalog: mAChR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 614.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.3±31.5 °C

DPNI-caged-GABA

DPNI-GABA is a nitroindoline cage compound that inhibits GABA(A) receptors and reduces GABA-evoked peak responses with an IC50 value of 0.5 mM[1].

  • CAS Number: 927866-58-8
  • MF: C15H23N3O12P2
  • MW: 499.30
  • Catalog: GABA Receptor
  • Density: 1.676±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 900.8±75.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

NHS-NH-(diethylamino)ethyl benzoate

NHS-NH-(diethylamino)ethyl benzoate is a compound that can be used for N-glycan labeling[1].

  • CAS Number: 2050902-45-7
  • MF: C18H23N3O6
  • MW: 377.39
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tivanisiran

Tivanisiran (SYL1001) is a siRNA used for the study of dry eye disease. Tivanisiran was designed to silence transient receptor potential vanilloid 1 (TRPV1)[1].

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

Surinamine

(S)-3-(4-Hydroxyphenyl)-2-(methylamino)propanoic acid is a tyrosine derivative[1].

  • CAS Number: 537-49-5
  • MF: C10H13NO3
  • MW: 195.215
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 378.8±32.0 °C at 760 mmHg
  • Melting Point: 253-256ºC (dec.)
  • Flash Point: 182.9±25.1 °C

RO-3306

Ro-3306 is a potent and selective inhibitor of CDK1, with Kis of 20 nM, 35 nM and 340 nM for CDK1, CDK1/cyclin B1 and CDK2/cyclin E, respectively.

  • CAS Number: 872573-93-8
  • MF: C18H13N3OS2
  • MW: 351.445
  • Catalog: CDK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 569.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 298.0±32.9 °C

Telratolimod

Telratolimod is a toll like receptors 7/8 (TLR7/8) agonist, with antitumor activity.

  • CAS Number: 1359993-59-1
  • MF: C36H59N5O2
  • MW: 593.89
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PTP1B-IN-3

PTP1B-IN-3 is a potent and selective PTP1B inhibitor with IC50s of 120 nM (PTP1B) and 120 nM (TCPTP), respectively.

  • CAS Number: 809272-64-8
  • MF: C12H7BrF2NO3P
  • MW: 362.06300
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NCGC00029283

NCGC00029283 is a werner syndrome helicase-nuclease (WRN) helicase inhibitor with IC50s of 2.3 μM, 12.5 μM, and 3.4 μM for WRN, BLM and FANCJ helicase, respectively[1].

  • CAS Number: 714240-31-0
  • MF: C18H12FN3O3
  • MW: 337.305
  • Catalog: DNA/RNA Synthesis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 576.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.6±32.9 °C

ZD-0892

ZD-0892 is a selective and potent inhibitor of a neutrophil elastase with Kis of 6.7 and 200 nM for human neutrophil elastase and porcine pancreatic elastase, respectively.

  • CAS Number: 171964-73-1
  • MF: C24H32F3N3O5
  • MW: 499.52
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hydroxyecdysone

Crustecdysone (20-Hydroxyecdysone) is a naturally occurring ecdysteroid hormone isolated from Cyanotis arachnoides C.B.Clarke which controls the ecdysis (moulting) and metamorphosis of arthropods, it inhibits caspase activity and induces autophagy via the 20E nuclear receptor complex, EcR-USP[1].Crustecdysone exhibits regulatory or protective roles in the cardiovascular system[2].

  • CAS Number: 5289-74-7
  • MF: C27H44O7
  • MW: 480.634
  • Catalog: Caspase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 702.1±60.0 °C at 760 mmHg
  • Melting Point: 242-244 °C
  • Flash Point: 392.4±29.4 °C

D-threo-PPMP hydrochloride

D-threo-PPMP hydrochloride is a potent inhibitor of glucosylceramide (GlcCer) synthase. D-threo-PPMP hydrochloride can block karyokinesis and reduce cyst production[1][2].

  • CAS Number: 139889-65-9
  • MF: C29H51ClN2O3
  • MW: 511.180
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tolycaine

Tolycaine is a local anaesthetic agent.

  • CAS Number: 3686-58-6
  • MF: C15H22N2O3
  • MW: 278.34700
  • Catalog: Neurological Disease
  • Density: 1.113g/cm3
  • Boiling Point: 422ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 209ºC