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

Rolapitant Hydrochloride Monohydrate

Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2].

  • CAS Number: 914462-92-3
  • MF: C25H29ClF6N2O3
  • MW: 554.953
  • Catalog: Neurokinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AGDV

AGDV is the γ chain of fibrinogen. AGDV is critical for platelet aggregation[1][2].

  • CAS Number: 99896-90-9
  • MF: C14H24N4O7
  • MW: 360.36
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antifungal agent 34

Antifungal agent 34 (compound 6i) is a potent antifungal agent. Antifungal agent 34 shows a potent antifungal activity against Candida albicans, with a MIC of 4 µg/mL. Antifungal agent 34 shows significant inhibition on Candida albicans hyphae and biofilm development. Antifungal agent 34 exhibits no cytotoxicity to mammalian cells[1].

  • CAS Number: 2036123-97-2
  • MF: C46H40F3N3O3
  • MW: 739.82
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Methylcytosine-d4

5-Methylcytosine-d4 is the deuterium labeled 5-Methylcytosine[1]. 5-Methylcytosine is a well-characterized DNA modification, and is also predominantly in abundant non-coding RNAs in both prokaryotes and eukaryotes. 5-Methylcytosine in mRNA is a new epitranscriptome marker inArabidopsis, and that regulation of this modification is an integral part of gene regulatory networks underlying plant development[2].

  • CAS Number: 1219795-15-9
  • MF: C5H3D4N3O
  • MW: 129.15
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Limocitrin 3,7-diglucoside

Limocitrin 3,7-diglucoside is a flavonoid isolated from Sedum sarmentosum.

  • CAS Number: 111133-91-6
  • MF: C29H34O18
  • MW: 670.57
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alosetron D3

Alosetron D3 (GR 68755 D3) is a deuterium labeled Alosetron. Alosetron is a serotonin 5HT3-receptor antagonist[1].

  • CAS Number: 1190043-13-0
  • MF: C17H15D3N4O
  • MW: 297.370
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 648.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 345.8±31.5 °C

(rac)-Rivastigmine-d6

(Rac)-Rivastigmine-d6 ((Rac)-Rivastigmine-d6) is a labelled racemic Rivastigmine. Rivastigmine (S-Rivastigmine) is an orally active and potent cholinesterase (ChE) inhibitor and inhibits butyrylcholinesterase (BChE) and acetylcholinesteras (AChE) with IC50s of 0.037 μM , 4.15 μM, respectively. Rivastigmine can pass the blood brain barrier (BBB). Rivastigmine is a parasympathomimetic or cholinergic agent used for the research of mild to moderate dementia of the Alzheimer's type and dementia due to Parkinson's disease[1][2].

  • CAS Number: 194930-04-6
  • MF: C14H16D6N2O2
  • MW: 256.37
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UCSF678

UCSF678 is a 42 nM arrestin-biased partial agonist at the 5-HT5AR with a more restricted off-target profile and decreased assay liabilities. UCSF678 is a selective probe with which to study the function of the 5-HT5AR[1].

  • CAS Number: 2361697-55-2
  • MF: C15H18N2O2S
  • MW: 290.38
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ko 143

Ko 143 is a potent and selective ATP-binding cassette sub-family G member 2 (ABCG2) inhibitor.

  • CAS Number: 461054-93-3
  • MF: C26H35N3O5
  • MW: 469.573
  • Catalog: BCRP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 689.8±55.0 °C at 760 mmHg
  • Melting Point: 147ºC
  • Flash Point: 371.0±31.5 °C

PF 05190457

PF-5190457 is a potent and selective ghrelin receptor inverse agonist with a pKi of 8.36.

  • CAS Number: 1334782-79-4
  • MF: C29H32N6OS
  • MW: 512.669
  • Catalog: GHSR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lycopsamine

Lycopsamine, a pyrrolizidine alkaloid, is a potential antitumor agent isolated from Eupatorium maculatum L.[1].

  • CAS Number: 10285-07-1
  • MF: C15H25NO5
  • MW: 299.36300
  • Catalog: Others
  • Density: 1.26g/cm3
  • Boiling Point: 463.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 234ºC

Lucidin 3-O-glucoside

Lucidin 3-O-glucoside is an anthraquinone analogue[1].

  • CAS Number: 22255-29-4
  • MF: C21H20O10
  • MW: 432.4
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: 778.9±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

OMDM-6

OMDM-6 is a hybrid agonist of vanilloid receptor type 1 (VR1, TRPV1) (EC50=75 nM) and cannabinoid receptor type 1 (CB1) (Ki=3.2 μM). OMDM-6 inhibits anandamide cellular uptake (ACU) with a Ki of 7.0 μM[1].

  • CAS Number: 616884-67-4
  • MF: C28H42N2O3
  • MW: 454.64
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RH1

RH1 (NSC 697726) is a potent bioreductive agent with profound anti-cancer activity in vitro and in vivo.

  • CAS Number: 221635-42-3
  • MF: C12H14N2O3
  • MW: 234.25100
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cannabisin B

Cannabisin B (Compound 7) is a compound isolated from the aerial part of Tetragonia tetragonioides (New Zealand spinach)[1].

  • CAS Number: 144506-17-2
  • MF: C34H32N2O8
  • MW: 596.63
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 1016.3±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

ML 179

ML179 (SR-1309) is a inverse LRH1 (Liver receptor homologue-1) agonist with IC50 of 320 nM. ML179 shows anti-proliferation activity in MDA-MB-231 cells. ML179 has the potential for the research of ER-negative breast cancer[1].

  • CAS Number: 1883548-87-5
  • MF: C21H25F3N4O2
  • MW: 422.44
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gemifioxacin mesylate

Gemifloxacin mesylate is an oral broad-spectrum quinolone antibacterial agent, used in the treatment of acute bacterial exacerbation of chronic bronchitis, and mild-to-moderate pneumonia.

  • CAS Number: 210353-53-0
  • MF: C19H24FN5O7S
  • MW: 485.487
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 638.9ºC at 760mmHg
  • Melting Point: 235-237ºC
  • Flash Point: 340.2ºC

Entadamide A glucoside

Entadamide-A-β-D-glucopyranoside is one of the major components in the seeds of Entada phaseoloides. Entadamide-A-β-D-glucopyranoside has anti-complement activitie[1].

  • CAS Number: 138916-58-2
  • MF: C12H21NO7S
  • MW: 323.36
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fenbendazole-d3

Fenbendazole-d3 is a deuterium labeled Fenbendazole. Fenbendazole is a benzimidazole anthelmintic. Fenbendazole is active against Giardia in vitro (IC50 = 0.3 μM). Fenbendazole (20 mg/kg) prevents infiltration of parasites into the brain in a rabbit model of E. cuniculi infection. Fenbendazole also activates HIF-1α and prevents oxidative stress-induced death in primary neurons in vitro.

  • CAS Number: 1228182-47-5
  • MF: C15H10D3N3O2S
  • MW: 302.36600
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: 209-216 °C
  • Melting Point: N/A
  • Flash Point: N/A

Bis-aminooxy-PEG1

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

  • CAS Number: 93460-33-4
  • MF: C4H12N2O3
  • MW: 136.15
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-(2-Amino-2-oxoethyl)uridine

5-(2-Amino-2-oxoethyl)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: 29569-30-0
  • MF: C11H15N3O7
  • MW: 301.25
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fluorescein Di-β-D-Glucuronide

Fluorescein Di-β-D-Glucuronide, a fluorescent probe, can be utilized to non-invasively image the intestinal bacterial β-glucuronidase activity in nude mice. Fluorescein Di-β-D-Glucuronide-based imaging reveals the in vitro and in vivo activity of intestinal bacterial β-glucuronidase, which would facilitate pharmacodynamic studies of specific bacterial β-glucuronidase inhibitors in animal studies[1].

  • CAS Number: 134869-04-8
  • MF: C34H32O15
  • MW: 680.61
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ibuprofen

Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50 of 13 μM and 370 μM, respectively.

  • CAS Number: 15687-27-1
  • MF: C13H18O2
  • MW: 206.281
  • Catalog: COX
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 319.6±11.0 °C at 760 mmHg
  • Melting Point: 77-78 °C(lit.)
  • Flash Point: 216.7±14.4 °C

Fumitremorgin C

Fumitremorgin C is a potent and selective ABCG2/BRCP inhibitor.

  • CAS Number: 118974-02-0
  • MF: C22H25N3O3
  • MW: 379.452
  • Catalog: BCRP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 642.9±55.0 °C at 760 mmHg
  • Melting Point: 259.5-260.5℃
  • Flash Point: 342.6±31.5 °C

N-(Iodoacetamido)-Doxorubicin

N-(Iodoacetamido)-Doxorubicin is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 114390-30-6
  • MF: C29H30INO12
  • MW: 711.45
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3’-Deoxy-2’-thiouridine

3’-Deoxy-2’-thiouridine 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: 455951-69-6
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PDE12-IN-3

PDE12-IN-3 is a phosphodiesterase 12 (PDE12) inhibitor with a pXC50 of 7.68. Antiviral activity[1].

  • CAS Number: 1803357-22-3
  • MF: C29H25N5O3
  • MW: 491.54
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ALK-IN-13

ALK-IN-13 is an ALK inhibitor, extracted from patent US20130225528A1, example 19[1].

  • CAS Number: 1197953-88-0
  • MF: C29H39ClN7O2P
  • MW: 584.09
  • Catalog: ALK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isamoltane hemifumarate

Isamoltane hemifumarate is a selective antagonist of 5-HT1B receptor, with an IC50 of 39 nM for inhibits the binding of [125I]ICYP to 5-HT1B recognition sites in rat brain membranes. Isamoltane hemifumarate is also a β-adrenoceptor ligand, with an IC50 of 8.4 nM. Isamoltane hemifumarate shows anxiolytic activity[1].

  • CAS Number: 874882-92-5
  • MF: C16H22N2O2.1/2C4H4O4
  • MW: 332.40
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E6446

E6446 is a potent and orally acitve TLR7 and TLR9 antagonist, used in the research of deleterious inflammatory responses.

  • CAS Number: 1219925-73-1
  • MF: C27H35N3O3
  • MW: 449.58500
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A