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

Cefatrizine

Cefatrizine (BL-S-640) is an orally active and broad-spectrum cephalosporin antibiotic. Cefatrizine is also a eEF2K inhibitor, with anti-proliferative activity in human breast cancer cells, which could induce ER stress, leading to cell death. Cefatrizine can be used in studies of cancer and bacterial infection[1][2].

  • CAS Number: 51627-14-6
  • MF: C18H18N6O5S2
  • MW: 462.503
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 948.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 527.2±34.3 °C

Human PD-L1 inhibitor III

Human PD-L1 inhibitor III is a human PD-L1 inhibitor.

  • CAS Number: 2135542-84-4
  • MF: C97H155N29O29S1
  • MW: 2223.70
  • Catalog: PD-1/PD-L1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Belinostat

Belinostat is a potent HDAC inhibitor with an IC50 of 27 nM in HeLa cell extracts.

  • CAS Number: 866323-14-0
  • MF: C15H14N2O4S
  • MW: 318.34800
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 160 °C(dec.)
  • Flash Point: N/A

D-JNKI-1

D-JNKI-1 is a specific inhibitor of JNK, and strongly interferes with JNK activation.

  • CAS Number: 1445179-97-4
  • MF: C164H286N66O40
  • MW:
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,5-Dioxopyrrolidin-1-yl 1-(9H-fluoren-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxa-4-azatritetracontan-43-oate

Fmoc-PEG12-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2227246-92-4
  • MF: C46H68N2O18
  • MW: 937.03
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aliconazole

Aliconazole is an antifungal imidazole derivative.

  • CAS Number: 63824-12-4
  • MF: C18H13Cl3N2
  • MW: 363.66800
  • Catalog: Fungal
  • Density: 1.29g/cm3
  • Boiling Point: 545ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 283.4ºC

Febuxostat D9

Febuxostat D9 is deuterium labeled Febuxostat, which is a selective xanthine oxidase inhibitor with Ki of 0.6 nM.

  • CAS Number: 1246819-50-0
  • MF: C16H7D9N2O3S
  • MW: 325.43000
  • Catalog: Xanthine Oxidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4',4-Dibromobiphenyl-d8

4',4-Dibromobiphenyl-d8 is the deuterium labeled 4',4-Dibromobiphenyl[1].

  • CAS Number: 80523-79-1
  • MF: C12Br2D8
  • MW: 320.04900
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kisspeptin-13 (4-13) (human) trifluoroacetate salt

Kisspeptin-10 is a potent endogenous agonist for GPR54, used as a vasoconstrictor and an angiogenesis inhibitor.

  • CAS Number: 374675-21-5
  • MF: C63H83N17O14
  • MW: 1302.44000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-L-2-allylglycine dicyclohexylamine salt

Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)pent-4-enoate is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 143979-15-1
  • MF: C22H40N2O4
  • MW: 396.564
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 352ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 166.7ºC

Etimumotide

Etimumotide is an immunological agent for active immunization, as well as an antineoplastic agent[1].

  • CAS Number: 1431550-68-3
  • MF: C111H162N24O27S
  • MW: 2296.68
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Brandioside

Brandioside is a natural phenylpropanoid glycoside from Brandisia hancei[1].

  • CAS Number: 133393-81-4
  • MF: C37H48O20
  • MW: 812.76500
  • Catalog: Others
  • Density: 1.58g/cm3
  • Boiling Point: 1008.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 306.7ºC

thiomarinol

Thiomarinol A (4-Hydroxythiomarinol C) is a potent antibiotic. Thiomarinol A is a hybrid of dithiolopyrrolone and marinolic acid. Thiomarinol A shows antimicrobial activity. Thiomarinol A inhibits MRSA IleRS in a dose-dependent with a Kiapp value of 19 nM[1].

  • CAS Number: 146697-04-3
  • MF: C30H44N2O9S2
  • MW: 640.80800
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GSK 9027

GSK9027, as a non-steroidal glucocorticoid receptor (GR) agonist, behaves as a partial agonist on the 2×glucocorticoid response element (GRE) reporter system, and achieves intrinsic activities relative to dexamethasone[1][2].

  • CAS Number: 1229096-88-1
  • MF: C27H19F4N3O2S
  • MW: 525.51700
  • Catalog: Glucocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sarafotoxin B trifluoroacetate salt

Sarafotoxin S6b is a vasoconstrictor peptide, and a non-selective endothelin receptor agonist. Sarafotoxin S6b can induce contraction in isolated human coronary arteries , the Ki values of Coronary artery, Saphenous vein and Coronary artery are 0.27, 0.55 and 19.5 nM, respectively[1].

  • CAS Number: 120972-53-4
  • MF: C110H159N27O34S5
  • MW: 2563.92000
  • Catalog: Endothelin Receptor
  • Density: 1.298 g/cm3
  • Boiling Point: 2570.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 1508.1ºC

Biotin-PEG3-CH2COOH

Biotin-PEG3-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1189560-96-0
  • MF: C18H31N3O7S
  • MW: 433.520
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 769.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 419.0±32.9 °C

2’,3’,5’-Tri-O-benzoyl-2’-β-C-methyl-5-methyl uridine

2’,3’,5’-Tri-O-benzoyl-2’-β-C-methyl-5-methyl uridine is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].

  • CAS Number: 957535-53-4
  • MF: C32H28N2O9
  • MW: 584.57
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tazobactam Sodium Salt

Tazobactam sodium is an antibiotic of the beta-lactamase inhibitor class. Ceftolozane combines with Tazobactam, extends the activity of ceftolozane against many ESBL-producing Enterobacteriaceae and some Bacteroides spp..

  • CAS Number: 89785-84-2
  • MF: C10H11N4NaO5S
  • MW: 322.27300
  • Catalog: Bacterial
  • Density: 1.92 g/cm3
  • Boiling Point: 707.1ºC at 760 mmHg
  • Melting Point: 140-147ºC
  • Flash Point: 381.4ºC

Propylthiouracil

Propylthiouracil(6-Propyl-2-thiouracil) is a thyroperoxidase and 5'-deiodinase inhibitor. Target: Thyroperoxidase (TPO)Propylthiouracil (PTU) is a thiouracil-derived drug used to treat hyperthyroidism (including Graves' disease) by decreasing the amount of thyroid hormone produced by the thyroid gland [1]. The antithyroid drug 6-propylthiouracil (PTU) was shown to have an unexpectedly prolonged inhibitory effect on iodination in the thyroid glands of rats. Eighteen hours after injection of a relatively small dose, iodination in the thyroid remained inhibited by more than 90% [2]. PTU inhibits the enzyme thyroperoxidase, which normally acts in thyroid hormone synthesis by oxidizing the anion iodide (I-) to iodine (I0), facilitating iodine's addition to tyrosine residues on the hormone precursor thyroglobulin. This is one of the essential steps in the formation of thyroxine (T4). PTU does not inhibit the action of the sodium-dependent iodide transporter located on follicular cells' basolateral membranes. Inhibition of this step requires competitive inhibitors, such as perchlorate and thiocyanate. From Wikipedia.

  • CAS Number: 51-52-5
  • MF: C7H10N2OS
  • MW: 170.232
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 355.2±34.0 °C at 760 mmHg
  • Melting Point: 218-220 °C(lit.)
  • Flash Point: 168.6±25.7 °C

Semax

MEHFPGP is a nootropic neuroprotective peptide. MEHFPGP can be used in the research of brain stroke[1][2].

  • CAS Number: 80714-61-0
  • MF: C37H51N9O10S
  • MW: 813.92000
  • Catalog: Neurological Disease
  • Density: 1.391g/cm3
  • Boiling Point: 1335.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 761.3ºC

Broussonin C

Broussonin C is a competitive inhibitor of Tyrosinase that can be isolated from Broussonetia kazinoki. Broussonin C inhibits monophenolase and diphenolase with IC50s of 0.43 and 0.57 μM, respectively[1].

  • CAS Number: 76045-49-3
  • MF: C20H24O3
  • MW: 312.40
  • Catalog: Tyrosinase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 499.3±14.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 229.3±14.7 °C

1-(4,4-diphenyl-3-butenyl)-3-piperidinecarboxylicacidhydrochloride;SKF89976AHCl

SKF89976A hydrochloride is a selective GABA transporter (GAT-1) inhibitor with IC50s of 0.28 μM, 137.34 μM and 202.8 μM for GAT-1, GAT-2 and GAT-3 in CHO cells, respectively.

  • CAS Number: 85375-15-1
  • MF: C22H26ClNO2
  • MW: 371.90000
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: 531.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 275.2ºC

(2S)-2-(3,4-Dimethoxyphenyl)-7-methoxychromane

(2S)-3',4',7-Trimethoxyflavan is a flavan, exhibits weak cytotoxicities against HCT116 and HepG2 with IC50 values 34.36 μg/mL and 38.51 μg/mL, respectively[1].

  • CAS Number: 116384-26-0
  • MF: C18H20O4
  • MW: 300.349
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 432.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 142.7±35.6 °C

5-epi-Isofagomine

Afegostat was previously in phase II clinical trials for the treatment of Gaucher's disease. The experiment was discontinued.

  • CAS Number: 169105-89-9
  • MF: C6H13NO3
  • MW: 147.17
  • Catalog: Metabolic Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 317.2±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 171.8±17.1 °C

RSV-IN-7

RSV-IN-7 (example 253) is a RSV inhibitor (EC50: < 0.4 μΜ)[1].

  • CAS Number: 2070852-76-3
  • MF: C27H22F3N7O3
  • MW: 549.50
  • Catalog: RSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EGFR/HER2/CDK9-IN-1

EGFR/HER2/CDK9-IN-1 (Compound 4) is a potent inhibitor of EGFR/HER2/CDK9 with IC50s of 90.17, 131.39, and 67.04 nM, respectively. EGFR/HER2/CDK9-IN-1 exhibits remarkable antitumor activity[1].

  • CAS Number: 879730-44-6
  • MF: C23H21N3O3S2
  • MW: 451.56
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

13-O-Cinnamoylbaccatin III

13-O-Cinnamoylbaccatin III (Baccatin III 13-cinnamate) is a taxane that can be found in the twigs of Taxus mairei[1].

  • CAS Number: 220932-65-0
  • MF: C40H44O12
  • MW: 716.77
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 801.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 241.7±27.8 °C

Exisulind

Exisulind is an inactive metabolite of the nonsteroidal, anti-inflammatory agent sulindac[1]. Exisulind inhibits aldose reductase with an IC50 of 367 nM in vitro and may contribute to the beneficial pharmacological effects of sulindac on type 2 diabetic complications[2].

  • CAS Number: 59864-04-9
  • MF: C20H17FO4S
  • MW: 372.41
  • Catalog: Aldose Reductase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 601.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 317.8±31.5 °C

Phellodendrine

Phellodendrine, a isoquinoline alkaloid, is one of important characteristic ingredients in the Phellodendri chinensis cortex. phellodendrine is against AAPH-induced oxidative stress through regulating the AKT/NF-κB pathway. Phellodendrine has good antioxidant, and anti-inflammatory effect [1].

  • CAS Number: 6873-13-8
  • MF: C20H24NO4
  • MW: 377.862
  • Catalog: Akt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzoctamine Hydrochloride

Benzoctamine hydrochloride (Ba-30803) is a psychoactive agent with anti-anxiety effect. Benzoctamine hydrochloride blocks the central postsynaptic serotonin receptors and decreases 5-HT turnover in the brain[1][2].

  • CAS Number: 10085-81-1
  • MF: C18H20ClN
  • MW: 285.81100
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 372ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 181.1ºC