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

Calmodulin-Dependent Protein Kinase II 281-309

Calmodulin-Dependent Protein Kinase II (281-309) is a peptide of calcium/calmodulin-dependent protein kinase II (CaM-kinase II)[1].

  • CAS Number: 116826-37-0
  • MF: C146H254N46O39S3
  • MW: 3374.06
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

azintamide

Azintamide (Bilipurum) can be used for the research of psoriasis vulgaris, dyspepsia and other conditions[1][2].

  • CAS Number: 1830-32-6
  • MF: C10H14ClN3OS
  • MW: 259.76
  • Catalog: Metabolic Disease
  • Density: 1.27g/cm3
  • Boiling Point: 435.3ºC at 760 mmHg
  • Melting Point: 97ºC
  • Flash Point: 217ºC

Rhododendrol

Rhododendrol can induce leukoderma. Rhododendrol induces generation of hydroxyl radicals and melanocyte cytotoxicity by increasing glutathione levels. Rhododendrol is a phenolic compound that can be isolated from plants such as Acer nikoense and Betula platyphylla[1].

  • CAS Number: 501-96-2
  • MF: C10H14O2
  • MW: 166.22
  • Catalog: Inflammation/Immunology
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 315.4±17.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 153.4±15.5 °C

Propargyl-PEG3-phosphonic acid

Propargyl-PEG3-phosphonic acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 1714139-62-4
  • MF: C9H17O6P
  • MW: 252.20
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lauroylamide Propylbetaine

Lauroylamide propylbetaine (Lauramidopropyl betaine) is a liquid detergent for cosmetic and hair compositions to enhance viscosity and has good biodegradability[1].

  • CAS Number: 4292-10-8
  • MF: C19H40N2O4
  • MW: 360.53200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 100ºC
  • Melting Point: -3ºC
  • Flash Point: 94ºC

Sulfadiazine

Sulfadiazine is a sulfonamide antibiotic.Target: AntibacterialSulfadiazine eliminates bacteria that cause infections by stopping the production of folate inside the bacterial cell, and is commonly used to treat urinary tract infections (UTIs). In combination, sulfadiazine and pyrimethamine, can be used to treat toxoplasmosis, a disease caused by Toxoplasma gondii. From Wikipedia.The ulcers who treated with silver sulfadiazine cream responded rapidly, with one-third showing bacterial levels of less than 10(5) within three days, and half within a week [1].

  • CAS Number: 68-35-9
  • MF: C10H10N4O2S
  • MW: 250.277
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 512.6±52.0 °C at 760 mmHg
  • Melting Point: 253 °C (dec.)(lit.)
  • Flash Point: 263.8±30.7 °C

JNK3 inhibitor-2

JNK3 inhibitor-2 is a potent and selective JNK3 inhibitor with IC50 values of >100, >100, 0.25 µM for JNK1, JNK2, JNK3, respectively. JNK3 inhibitor-2 shows DDR1 and EGFR (T790M, L858R) inhibition[1].

  • CAS Number: 2366264-18-6
  • MF: C20H14N2O2
  • MW: 314.34
  • Catalog: JNK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ertapenem

Ertapenem (MK-0826) is a broad spectrum and long acting β-lactam antibiotic. Ertapenem has a broad-spectrum anti-anaerobic activity against a variety of anaerobes with a mode MIC of 0.12 μg/mL. Ertapenem can be used for the research of severe infections caused by bacteria in the skin, lungs, stomach, pelvis, and urinary tract[1][2].

  • CAS Number: 153832-46-3
  • MF: C22H25N3O7S
  • MW: 475.515
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 813.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 446.0±34.3 °C

DL-Norvaline

DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

  • CAS Number: 760-78-1
  • MF: C5H11NO2
  • MW: 117.146
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 222.9±23.0 °C at 760 mmHg
  • Melting Point: ≥300 °C (dec.)
  • Flash Point: 88.6±22.6 °C

Fmoc-D-Cys(Trt)-OH

Fmoc-D-Cys(Trt)-OH is a cysteine derivative[1].

  • CAS Number: 167015-11-4
  • MF: C37H31NO4S
  • MW: 585.711
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 763.4±60.0 °C at 760 mmHg
  • Melting Point: 174 °C
  • Flash Point: 415.5±32.9 °C

Fmoc-Lys(Me,Boc)-OH

Fmoc-Lys(Boc,Me)-OH is a lysine derivative[1].

  • CAS Number: 951695-85-5
  • MF: C27H34N2O6
  • MW: 482.569
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 665.4±55.0 °C at 760 mmHg
  • Melting Point: 85-87ºC
  • Flash Point: 356.2±31.5 °C

S-Acetyl-PEG3-azide

S-Acetyl-PEG3-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1310827-26-9
  • MF: C10H19N3O4S
  • MW: 277.341
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kgp-IN-1 hydrochloride

Kgp-IN-1 hydrochloride is an arginine-specific gingipain (Rgp) inhibitor extracted from patent WO2017201322A1, compound 13-R[1].

  • CAS Number: 2097865-47-7
  • MF: C19H25ClF4N4O3
  • MW: 468.87
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MtbHU-IN-1

MtbHU-IN-1 is an inhibitor of Mycobacterium tuberculosis nucleoid-associated protein HU (MtbHU), with a Kd of 98 nM for binding to WT MtbHU.

  • CAS Number: 59736-84-4
  • MF: C44H36N4O12S2
  • MW: 876.91
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RWJ 50271

RWJ 50271 is an selective inhibitor of lymphocyte function-associated antigen-1/intercellular adhesion molecule-1(LFA-1/ICAM-1) interaction with an IC50 of 5.0 μM (HL60 cells)[1].

  • CAS Number: 162112-37-0
  • MF: C18H17F3N4O2S
  • MW: 410.41
  • Catalog: Integrin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Benzylidenphthalide

Benzalphthalide (3-Benzylidenephthalide), a phthalate compound, is an insecticide[1].

  • CAS Number: 575-61-1
  • MF: C15H10O2
  • MW: 222.24
  • Catalog: Infection
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 374.1±42.0 °C at 760 mmHg
  • Melting Point: 99-102 °C(lit.)
  • Flash Point: 156.9±25.3 °C

1-(4-Chlorophenyl)ethanone-d4

1-(4-Chlorophenyl)ethanone-d4 is the deuterium labeled 1-(4-Chlorophenyl)ethanone[1].

  • CAS Number: 284474-50-6
  • MF: C8H3ClD4O
  • MW: 158.61800
  • Catalog: Others
  • Density: 1.192 g/mL at 25ºC
  • Boiling Point: 232ºC(lit.)
  • Melting Point: 14-18ºC(lit.)
  • Flash Point: 194 °F

Ziconotide acetate

Ziconotide acetate (SNX-111 acetate), a peptide, is a potent and selective block of N-type calcium channels antagonist. Ziconotide acetate reduces synaptic transmission, and can be used for chronic pain research[1].

  • CAS Number: 914454-03-8
  • MF: C102H172N36O32S7.xC2H4O2
  • MW:
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anti-inflammatory agent 21

Anti-inflammatory agent 21 (compound 9o) is an orally active and low cytotoxic anti-inflammatory agent, with an IC50 value of 0.76 μM for NO. Anti-inflammatory agent 21 acts via accumulation ROS and blocks the NF-κB/MAPK signaling pathway. Anti-inflammatory agent 21 can ameliorate cartilage destruction and inflammatory cell infiltration in arthritis rats model[1].

  • CAS Number: 2408836-40-6
  • MF: C24H21FO6
  • MW: 424.42
  • Catalog: NO Synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lauric acid

Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

  • CAS Number: 143-07-7
  • MF: C12H24O2
  • MW: 200.318
  • Catalog: Bacterial
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 296.1±3.0 °C at 760 mmHg
  • Melting Point: 44-46 °C(lit.)
  • Flash Point: 134.1±11.9 °C

RPR103611

RPR103611, the betulinic acid derivative, is a potent HIV-1 entry inhibitor with IC50s of 80, 0.27, and 0.17 for CCR5-tropic virus YU2, CXCR4-tropic virus NL4-3 and dual tropic virus 89.6, respectively[1].

  • CAS Number: 150840-75-8
  • MF: C46H78N2O6
  • MW: 755.12
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EGFR-IN-49

EGFR-IN-49 is a potent and selective EGFR inhibitor with IC50s of 65.0 nM and 13.6 nM for EGFRT790M and EGFRT790M/L858R, respectively. EGFR-IN-49 induces late apoptosis in a dose-dependent manner[1].

  • CAS Number: 2459932-81-9
  • MF: C22H15N5O2S
  • MW: 413.45
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kynurenic acid sodium salt

Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also a selective ligand of the GPR35 receptor.

  • CAS Number: 2439-02-3
  • MF: C10H7NNaO3
  • MW: 212.16
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ZINC04177596

ZINC04177596 is a potent HIV-negative factor (HIV-Nef) protein inhibitor. Nef is an accessory gene product of HIV and has an imperative role in viral replication and AIDS pathogenesis[1].

  • CAS Number: 364052-84-6
  • MF: C22H16N6O4
  • MW: 428.40
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N6-Ethyl-2’-deoxyadenosine

N6-Ethyl-2’-deoxyadenosine is a purine nucleoside analog. 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: 136050-93-6
  • MF: C12H17N5O3
  • MW: 279.30
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Canagliflozin-d4

Canagliflozin D4 is a deuterium labeled Canagliflozin. Canagliflozin is a selective SGLT2 inhibitor[1].

  • CAS Number: 1997338-61-0
  • MF: C24H21D4FO5S
  • MW: 448.54
  • Catalog: SGLT
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CD73-IN-1

CD73-IN-1 is an inhibitor of CD73 which can be used in the treatment of cancer extracted from patent WO 2017153952 A1, example 80.

  • CAS Number: 2132396-40-6
  • MF: C18H17N3O4S
  • MW: 371.41
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Poriol

Poriol is a flavonoid isolated from Pseudotsuga sinensis[1].

  • CAS Number: 14348-16-4
  • MF: C16H14O5
  • MW: 286.27900
  • Catalog: Others
  • Density: 1.434g/cm3
  • Boiling Point: 588.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 225.4ºC

N-(Azido-PEG3)-N-Boc-PEG4-NHS ester

N-(Azido-PEG4)-N-Boc-PEG4-NHS ester is a PEG-based PROTAC linker with a terminal azide group. N-(Azido-PEG4)-N-Boc-PEG4-NHS ester is used in the synthesis of PROTACs[1]

  • CAS Number: 2112731-96-9
  • MF: C28H49N5O13
  • MW: 663.71
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATR-IN-18

ATR-IN-18 (compound 2) is an orally active and potent ATR kinase inhibitor, with an IC50 of 0.69 nM. ATR-IN-18 shows antiproliferative activity in LoVo cells, with an IC50 of 37.34 nM. ATR-IN-18 has anti-tumor activity[1].

  • CAS Number: 2766407-55-8
  • MF: C19H22F3N7O5S
  • MW: 517.48
  • Catalog: ATM/ATR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A