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

FCPR03

FCPR03 is a novel potent, selective PDE4 inhibitor with IC50 of 60, 31 and 47 nM for PDE4CAT (PDE4 catalytic domain), PDE4B1 and PDE4D7, respectively; displays >2,000-fold selectivity over other PDEs; effectively increases the production of cAMP, promotes CREB phosphorylation, and inhibits NF-κB activation both in vitro and in vivo; displays anti-neuroinflammation potential, promising antidepressant-like effects in vivo.

  • CAS Number: 1917347-65-9
  • MF: C15H19F2NO3
  • MW: 299.318
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-O-Acetyl-20-hydroxyecdysone

2-O-Acetyl-20-hydroxyecdysone, an ecdysterones in insects and terrestrial plants, inhibits amyloid-β42 (Aβ42)-induced cytotoxicity. 2-O-Acetyl-20-hydroxyecdysone could decrease Aβ oligomer formation through promotion of fibrogenesis, transforming Aβ oligomers to the low-toxicity fibrils[1].

  • CAS Number: 19536-25-5
  • MF: C29H46O8
  • MW: 522.67
  • Catalog: Neurological Disease
  • Density: 1.26±0.1 g/cm3
  • Boiling Point: 707.3±60.0 °C
  • Melting Point: 218-220 ºC
  • Flash Point: N/A

(Phe13,Tyr19)-MCH (human, mouse, rat)

(Phe13,Tyr19)-MCH (human, mouse, rat) is a potent SLC-1 and S643b receptor ligand. (Phe13,Tyr19)-MCH (human, mouse, rat) can be used as an agonist for SLC-1 and S643b receptor[1].

  • CAS Number: 160201-86-5
  • MF: C109H160N30O26S4
  • MW: 2434.88000
  • Catalog: MCHR1 (GPR24)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Z-DL-Met-OH

Z-DL-Met-OH is a Methionine (HY-13694) derivative[1].

  • CAS Number: 4434-61-1
  • MF: C13H17NO4S
  • MW: 283.343
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 504.7±50.0 °C at 760 mmHg
  • Melting Point: 113ºC
  • Flash Point: 259.0±30.1 °C

Coenzyme F420-1

Coenzyme F420-1 (Factor F420-1), a deazaflavin derivative, acts as an important hydride acceptor/donor in the central methanogenic pathway[1].

  • CAS Number: 37333-48-5
  • MF: C16H17N3O7
  • MW: 363.32200
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(±)-H3RESCA-TFP

(±)-H3RESCA-TFP ((±)-H3L28) is a tetrafluorophenyl ester derivative of restrained complexing agent (RESCA). (±)-H3RESCA-TFP can be used to conjugate the chelator with a biomolecule via amine coupling (e.g., N terminus and/or the ε-amino groups of lysine)[1].

  • CAS Number: 1919794-40-3
  • MF: C27H28F4N2O8
  • MW: 584.51
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Bromo-3,4-difluorobenzene-d3

1-Bromo-3,4-difluorobenzene-d3 is the deuterium labeled 1-Bromo-3,4-difluorobenzene[1].

  • CAS Number: 1219799-14-0
  • MF: C6H3BrF2
  • MW: 192.989
  • Catalog: Others
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 150.5±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 33.3±0.0 °C

Maraviroc-d6

Maraviroc-d6 (UK-427857-d6) is the deuterium labeled Maraviroc. Maraviroc (UK-427857) is a selective CCR5 antagonist with activity against human HIV[1][2].

  • CAS Number: 1033699-22-7
  • MF: C29H35D6F2N5O
  • MW: 519.70300
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-D-Ser(Bzl)-OH

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(phenylmethyl)-D-serine is a serine derivative[1].

  • CAS Number: 122889-11-6
  • MF: C25H23NO5
  • MW: 417.454
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 642.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 342.3±31.5 °C

N-Nitroso-diethylamine D10

N-Nitrosodiethylamine-d10 is the deuterium labeled N-Nitrosodiethylamine[1]. N-Nitrosodiethylamine (Diethylnitrosamine) is a potent hepatocarcinogenic dialkylnitrosoamine. N-Nitrosodiethylamine is mainly present in tobacco smoke, water, cheddar cheese, cured, fried meals and many alcoholic beverages. N-Nitrosodiethylamine is responsible for the changes in the nuclear enzymes associated with DNA repair/replication. N-Nitrosodiethylamine results in various tumors in all animal species. The main target organs are the nasal cavity, trachea, lung, esophagus and liver.

  • CAS Number: 1219794-54-3
  • MF: (C2D5)2NNO
  • MW: 112.19661778
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LTD4 antagonist 1

LTD4 antagonist 1 is a potent, orally active antagonist of leukotriene D4 (LTD4) with a Ki of 0.57 nM.

  • CAS Number: 136564-67-5
  • MF: C31H32F3N3O5S
  • MW: 615.66
  • Catalog: Leukotriene Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

M4 mAChR agonist-1

M4 mAChR agonist-1 (compound 10a) is a potent M4 mAChR agonist with an EC50 >10 μM for human M4[1].

  • CAS Number: 785705-53-5
  • MF: C14H18N4OS
  • MW: 290.38
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Suprofen-d3

Suprofen-d3 (TN-762-d3) is the deuterium labeled Suprofen. Suprofen (TN-762) is a non-steroidal anti-inflammatory drug (NSAID)[1][2].

  • CAS Number: 126320-79-4
  • MF: C14H9D3O3S
  • MW: 263.33
  • Catalog: PGE synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Biotin NHS

Biotin NHS is an amino reactive biotin reagent used in the preparation of biotinylated surfaces or polypeptides.

  • CAS Number: 35013-72-0
  • MF: C14H19N3O5S
  • MW: 341.383
  • Catalog: Dye Reagents
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 212-214 °C
  • Flash Point: N/A

tans-4-Hydroxy-D-proline methyl ester hydrochloride

tans-4-Hydroxy-D-proline methyl ester hydrochloride is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). tans-4-Hydroxy-D-proline methyl ester hydrochloride is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1][2].

  • CAS Number: 481704-21-6
  • MF: C6H12ClNO3
  • MW: 181.617
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI-671800

BI-671800 is a highly specific and potent antagonist of chemoattractant receptor-homologous molecule on Th2 cells (DP2/CRTH2), with IC50 values of 4.5 nM and 3.7 nM for PGD2 binding to CRTH2 in hCRTH2 and mCRTH2 transfected cells, respectively[1]. BI-671800 has potential for the treatment of poorly controlled asthma[2].

  • CAS Number: 1093108-50-9
  • MF: C25H26F3N5O3
  • MW: 501.50100
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-oxo-4-HPR

4-Oxofenretinide (4-Oxo-4-HPR) is a metabolite of Fenretinide (HY-15373). 4-Oxofenretinide induces cell growth inhibition in ovarian, breast, and neuroblastoma tumor cell lines. 4-Oxofenretinide causes a marked accumulation of cells in G2-M. 4-Oxofenretinide induces cancer cell apoptosis through caspase-9[1].

  • CAS Number: 865536-65-8
  • MF: C26H31NO3
  • MW: 405.53
  • Catalog: Apoptosis
  • Density: 1.131g/cm3
  • Boiling Point: 641.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 341.9ºC

(+)-Scandine

Scandine is a alkaloid compound isolated from the twigs and leaves of Melodinus suaveolens[1].

  • CAS Number: 24314-59-8
  • MF: C21H22N2O3
  • MW: 350.411
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 521.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 269.1±30.1 °C

Naftifine-d3 (hydrochloride)

Naftifine-d3 hydrochloride is the deuterium labeled Naftifine hydrochloride. Naftifine hydrochloride is an antibiotic. Naftifine hydrochloride has antifungal activity against dermatophytes, aspergilli, Sporothrix schenckii, and yeasts of the genus Candida. Naftifine hydrochloride can be used for the research of superficial dermatomycoses inhibition[1].

  • CAS Number: 1246833-81-7
  • MF: C21H19D3ClN
  • MW: 326.878
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

β-Tomatine

β-Tomatine is a breakdown product of a-tomatine and a less fungitoxic compound. β-Tomatine can suppress plant defense responses[1].

  • CAS Number: 17406-46-1
  • MF: C45H75NO17
  • MW: 902.07300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ledol

Ledol ((+)-Ledol) is an antifungal agent that can be isolated from the essential oil fractions of Rhododendron tomentosum. Ledol is also the expectorant and antitussive agent, which is simultaneously responsible for adverse reactions such as dizziness, nausea and vomiting[1].

  • CAS Number: 577-27-5
  • MF: C15H26O
  • MW: 222.36600
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3’-Azido-3’-deoxy-5-methyl-beta-L-uridine

3’-Azido-3’-deoxy-5-methyl-beta-L-uridine 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: 2095417-10-8
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

M56-S2 iodide

M56-S2 iodide is a SARS-CoV-2 Mpro inhibitor (IC50=4.0 μM). M56-S2 iodide showed good oral bioavailability and low toxicity in ADMET prediction. M56-S2 iodide has good drug potential and can be used in antiviral (such as SARS-CoV-2) research[1].

  • CAS Number: 1101867-17-7
  • MF: C17H18IN3O2
  • MW: 423.25
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

sulfathiazole-d4

Sulfathiazole D4 is a deuterium labeled Sulfathiazole. Sulfathiazole, an organosulfur compound, is used as a short-acting sulfonamide antibiotic[1].

  • CAS Number: 1020719-89-4
  • MF: C9H5D4N3O2S2
  • MW: 259.341
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 479.5±47.0 °C at 760 mmHg
  • Melting Point: 172-174°C
  • Flash Point: 243.8±29.3 °C

FR221647

FR221647 is an orally active non-nucleoside inhibitor of adenosine deaminase. FR221647 is not cytotoxic at a concentration of 100 μM[1].

  • CAS Number: 256461-28-6
  • MF: C14H17N3O2
  • MW: 259.30
  • Catalog: Adenosine Deaminase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hCAIX-IN-18

hCAIX-IN-18 (compound 30) is an inhibitor of carbonic anhydrase (CA), with Kis of 3.5 nM, 9.4 nM, 43.0 nM and 8.2 nM for hCAI, hCAII, hCAIX, hCAXII, respectively. hCAIX-IN-18 can be used for cancer research[1].

  • CAS Number: 2925261-76-1
  • MF: C17H19ClN4O3S
  • MW: 394.88
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TNIK-IN-7

TNIK-IN-7 (Compound 8) is an inhibitor of Traf2 and Nck-interacting kinase (TNIK), with IC50 of 11 nM, that has antitumor activity[1].

  • CAS Number: 1417795-24-4
  • MF: C23H22N4O2
  • MW: 386.4
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tetraethylene glycol monomethyl ether

Tetraethylene glycol monomethyl ether is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 23783-42-8
  • MF: C9H20O5
  • MW: 208.252
  • Catalog: PROTAC Linker
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 285.4±25.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 126.4±23.2 °C

D-Tetramannuronic acid

D-Tetramannuronic acid, an alginate oligomer, is produced by marine brown algae and by a limited range of Gram negative bacteria. D-Tetramannuronic acid can be used for the research of pain and vascular dementia[1][2][3][4].

  • CAS Number: 149511-34-2
  • MF: C24H34O25
  • MW: 722.51
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

METHYL 2-(CYCLOPENTYLAMINO)ACETATE HYDROCHLORIDE

Methyl 2-(cyclopentylamino)acetate hydrochloride is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 195877-46-4
  • MF: C8H16ClNO2
  • MW: 193.671
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A