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

Antifungal agent 66

Antifungal agent 66 (compound 10) has antifungal activity. Antifungal agent 66 has a broad-spectrum antifungal activity against seven phytopathogenic fungal mycelia. Antifungal agent 66 has pronounced inhibitory activity against the spore of B. cinerea with an IC50 value of 47.7 μg/mL[1].

  • CAS Number: 1613152-33-2
  • MF: C19H25ClO6
  • MW: 384.85
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H100

H100 is a Cl- transport inhibitor, with partial effects against both the NaK2Cl cotransporter and the Band 3 anion exchanger, but no effect against KCl cotransporter, in human erythrocytes.

  • CAS Number: 643727-55-3
  • MF: C18H16N2O6S
  • MW: 388.39
  • Catalog: Chloride Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyl dehydroabietate

Methyl dehydroabietate is a kind of resin acid that can be isolated from spruce bark. Methyl dehydroabietate has antimicrobial activities[1].

  • CAS Number: 1235-74-1
  • MF: C21H30O2
  • MW: 314.46200
  • Catalog: Bacterial
  • Density: 1.017g/cm3
  • Boiling Point: 390.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 184.3ºC

Imidazol-1-yl compound 1

Imidazol-1-yl compound 1 is a compound which can be used to treat gastro intestinal functional disorders in the lower intestinal tracts extracted from patent DE 4238553 A1.

  • CAS Number: 120635-47-4
  • MF: C20H21N3O
  • MW: 319.40000
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sodium formate-13C,d1

Sodium formate-13C,d1 is the deuterium and 13C labeled Sodium formate[1].

  • CAS Number: 1215684-17-5
  • MF: 13CHDNaO2
  • MW: 71.01
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HX103

HX103 is an epidermal growth factor receptor (EGFR)-tyrosine kinase inhibitor (TKI)-based fluorogenic probe. HX103 inhibits EGFR 19 del, EGFR L858R, EGFR wild type and EGFR T790M with IC50s of 1.3, 1.5, 4.0 and 977 nM, respectively. HX103 can be used for quantifying active-EGFR to predict drug sensitivity in NSCLC patients with EGFR-activating mutations[1].

  • CAS Number: 2566466-98-4
  • MF: C26H25ClFN7O5S
  • MW: 602.04
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

16-O-Methylcafestol

16-O-Methylcafestol is a derivative of cafestol that can be isolated from green coffee beans[1].

  • CAS Number: 108214-28-4
  • MF: C21H30O3
  • MW: 330.46100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-(Trifluoromethyl)-L-phenylglycine

4-(Trifluoromethyl)-L-phenylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 144789-75-3
  • MF: C9H8F3NO2
  • MW: 219.16100
  • Catalog: Others
  • Density: 1.415 g/cm3
  • Boiling Point: 297.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 133.6ºC

Apafant

Apafant (WEB 2086), a potent platelet-activating factor (PAF) antagonist, inhibits PAF binding to human PAF receptors with a Ki of 9.9 nM[1].

  • CAS Number: 105219-56-5
  • MF: C22H22ClN5O2S
  • MW: 455.96
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 720.2±70.0 °C at 760 mmHg
  • Melting Point: 186-188ºC
  • Flash Point: 389.4±35.7 °C

RCB16007

RCB16007 is a Yellow Fever Virus (YFV) Inhibitor. RCB16007 inhibits the West Nile virus (EC50: 7.9 μM, CC50: 17 μM)[1].

  • CAS Number: 2952530-26-4
  • MF: C18H14ClN5O2S
  • MW: 399.85
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H2N-PEG2-CH2COOtBu

H2N-PEG2-CH2COOtBu is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1122484-77-8
  • MF: C10H21NO4
  • MW: 219.28
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isoscoparin

Isoscoparin is a flavonoid that could be isolated from EtOAc extract of Gentiana algida Pall. Isoscoparin possesses antioxidant activity[1].

  • CAS Number: 20013-23-4
  • MF: C22H22O11
  • MW: 462.40300
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: 818.6±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Ethane-1,2-diamine dihydrochloride-13C2

Ethane-1,2-diamine dihydrochloride-13C2 is the 13C labeled Ethane-1,2-diamine dihydrochloride[1].

  • CAS Number: 77435-60-0
  • MF: C2H10Cl2N2
  • MW: 135.00600
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N5-3-Butenimidoyl-L-ornithine hydrochloride (1:1)

Vinyl-L-NIO hydrochloride is a potent nitric oxide synthase (NOS) inhibitor. Vinyl-L-NIO hydrochloride inhibits the activity of NOS, reducing the production of nitric oxide[1].

  • CAS Number: 728944-69-2
  • MF: C9H17N3O2.xHCl
  • MW: 235.711
  • Catalog: NO Synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

chloroacetyl-dl-norleucine

N-Chloroacetyl-DL-norleucine is a leucine derivative[1].

  • CAS Number: 67206-26-2
  • MF: C8H14ClNO3
  • MW: 207.65500
  • Catalog: Others
  • Density: 1.2g/cm3
  • Boiling Point: 409.6ºC at 760 mmHg
  • Melting Point: 113ºC
  • Flash Point: 201.5ºC

Fidaxomicin-D7

Fidaxomicin-D7 (OPT-80-D7) is the deuterium labeled Fidaxomicin. Fidaxomicin (OPT-80), a macrocyclic RNA polymerase inhibitor, has a narrow spectrum of activity. Fidaxomicin selectively eradicates pathogenic Clostridium difficile with minimal disruption to the multiple species of bacteria that make up the normal, healthy intestinal flora[1][2].

  • CAS Number: 2143934-06-7
  • MF: C52H67D7Cl2O18
  • MW: 1065.08
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

U0126

U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].

  • CAS Number: 109511-58-2
  • MF: C18H16N6S2
  • MW: 380.490
  • Catalog: Influenza Virus
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 565.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 295.6±30.1 °C

Glicophenone

Glicophenone is an antibacterial agent with MICs of both 32 μg/mL against MRSA OM481, MRSA OM505, MRSA OM584, MRSA OM623 and MSSA 209P[1].

  • CAS Number: 303175-66-8
  • MF: C20H22O6
  • MW: 358.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rotundatin

Rotundatin is useful in inhibition of the aggregation of platelets induced by arachidonic acid and collagen[1].

  • CAS Number: 144506-16-1
  • MF: C15H14O4
  • MW: 258.27
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trihydro(tetrahydrofuran)boron-d3

Trihydro(tetrahydrofuran)boron-d3 is the deuterium labeled Trihydro(tetrahydrofuran)boron[1].

  • CAS Number: 96220-57-4
  • MF: C4H8D3BO
  • MW: 88.96
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mal-PEG1-Val-Cit-PABC-OH

Mal-PEG1-Val-Cit-PABC-OH is a cleavable 1 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 2055041-37-5
  • MF: C27H38N6O8
  • MW: 574.63
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cagrilintide

Cagrilintide is an investigational novel long-acting acylated amylin analogue, acts as nonselective amylin receptors (AMYR) and calcitonin G protein-coupled receptor (CTR) agonist. Cagrilintide induces significant weight loss and reduces food intake. Cagrilintide has the potential for the research of obesity[1][2][3].

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

FMOC-D-4-Chlorophe

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid is a phenylalanine derivative[1].

  • CAS Number: 142994-19-2
  • MF: C24H20ClNO4
  • MW: 421.873
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 640.9±55.0 °C at 760 mmHg
  • Melting Point: 194ºC
  • Flash Point: 341.4±31.5 °C

Suc-Ala-Ala-Pro-Ala-pNA

Suc-AAPA-pNA is a substrate of chymotrypsin Aα. Suc-AAPA-pNA can be used to test chymotrypsin Aα activity[1].

  • CAS Number: 72682-69-0
  • MF: C24H32N6O9
  • MW: 548.55
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ceftibuten dihydrate

Ceftibuten dihydrate is a third-generation cephalosporin antibiotic.

  • CAS Number: 118081-34-8
  • MF: C15H18N4O8S2
  • MW: 446.455
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 966.4ºC at 760mmHg
  • Melting Point: >180ºC (dec.)
  • Flash Point: 538.3ºC

HDAC6-IN-6

HDAC6-IN-6 (compound 6a) is a potent and BBB-penetrated HDAC6 inhibitor, with an IC50 of 0.025 μM. HDAC6-IN-6 exhibits strong inhibitory activity against Aβ1-42 self-aggregation and AChE, with IC50 values of 3.0 and 0.72 μM. HDAC6-IN-6 can enhance neurite outgrowth without significant neurotoxicity[1].

  • CAS Number: 2413603-10-6
  • MF: C20H15N3O2
  • MW: 329.35
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Intermedine

(+)-Intermedine, a pyrrolizidine alkaloid (PA), exhibits significant cytotoxicity in neural progenitor cells (NPCs)[1].

  • CAS Number: 10285-06-0
  • MF: C15H25NO5
  • MW: 299.36300
  • Catalog: Neurological Disease
  • Density: 1.26g/cm3
  • Boiling Point: 463.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 234ºC

Pestalotin

Pestalotin, a fungal lactone, is a secondary metabolite of endophytic fungus Pestalotiopsis microspore[1].

  • CAS Number: 34565-32-7
  • MF: C11H18O4
  • MW: 214.25800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Felypressin acetate

Felypressin acetate (PLV-2 acetate) is a non-catecholamine vasoconstrictor and a vasopressin 1 agonist. Felypressin acetate is widely used in dental procedures[1][2].

  • CAS Number: 914453-97-7
  • MF: C46H65N13O11S2.xC2H4O2
  • MW: 1100.271
  • Catalog: Vasopressin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid

Ibuprofen D3 is a deuterium labeled Ibuprofen. Ibuprofen is a COX-1 and COX-2 inhibitor with IC50s of 13 μM and 370 μM[1].

  • CAS Number: 121662-14-4
  • MF: C13H15D3O2
  • MW: 209.299
  • Catalog: COX
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 319.6±11.0 °C at 760 mmHg
  • Melting Point: 69-71ºC
  • Flash Point: 216.7±14.4 °C