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

Tanshinone IIB

Tanshinone IIB is a major active constituent of the roots of Salvia miltiorrhiza (Danshen) widely used for the research of stroke and coronary heart disease in Asian countries. Tanshinone IIB has a neuroprotective effect via inhibition of apoptosis[1].

  • CAS Number: 17397-93-2
  • MF: C19H18O4
  • MW: 310.344
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 536.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.5±30.1 °C

BCECF-AM

BCECF-AM is a cell membrane permeable compound, widely used as a fluorescent indicator for intracellular pH.

  • CAS Number: 117464-70-7
  • MF: C40H36O19
  • MW: 820.70
  • Catalog: Dye Reagents
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 939.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 368.9±34.3 °C

7,4'-Dihydroxy-3'-prenylflavan

(2S)-7,4'-Dihydroxy-3'-prenylflavan is a natural product[1].

  • CAS Number: 376361-96-5
  • MF: C20H22O3
  • MW: 310.387
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 503.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 258.4±30.1 °C

2,3-Naphthalenedicarbaldehyde

Naphthalene-2,3-Dicarboxaldehyde (2,3-Naphthalenedicarboxaldehyde), a phthaldehyde derivative, is a fungal ASADH inhibitor (Ki: 45 渭M). Naphthalene-2,3-Dicarboxaldehyde inhibits the growth of C. albicans CAF2-1 with IC50 of 58.2 渭M and MIC of 12 渭g/mL[1].

  • CAS Number: 7149-49-7
  • MF: C12H8O2
  • MW: 184.19
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 380.0±25.0 °C at 760 mmHg
  • Melting Point: 131-133ºC(lit.)
  • Flash Point: 142.5±20.2 °C

Avacopan

Avacopan (CCX168) is a potent, selective and orally available complement 5a receptor inhibitor with an IC50 of 0.1 nM.

  • CAS Number: 1346623-17-3
  • MF: C33H35F4N3O2
  • MW: 581.64400
  • Catalog: Complement System
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Matuzumab

Matuzumab (EMD 72000) is a humanized anti-EGFR monoclonal antibody that blocks EGFR activation and downstream signaling, inhibits tumor growth[1].

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

camellianin B

Camellianin B, a flavonoid compound, is a Camellianin A metabolite. Camellianin B has antioxidant and angiotensin converting enzyme (ACE) inhibitory activities[1][2].

  • CAS Number: 109232-76-0
  • MF: C27H30O14
  • MW: 578.51900
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.69g/cm3
  • Boiling Point: 937.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 312.4ºC

NBI-98854

NBI-98854 is a potent, highly selective, VMAT2 inhibitor that is effective in regulating the levels of dopamine release during nerve communication.IC50 value:Target: VMAT2NBI-98854 completed a Phase I single ascending dose clinical trial in healthy male volunteers in Canada under an approved Clinical Trial Application with Health Canada.This trial showed NBI-98854 to be generally safe and well tolerated.

  • CAS Number: 171598-74-6
  • MF: C19H29NO3
  • MW: 319.44
  • Catalog: Monoamine Transporter
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 167-170°C
  • Flash Point: N/A

Antifungal agent 76

Antifungal agent 76 (compound 23h) exhibits potent activities and a broad antifungal spectrum with low MICs of 0.25-16 μg/mL. Antifungal agent 76 might achieve its rapid fungicidal activity by disrupting the fungal cell membrane[1].

  • CAS Number: 1615683-57-2
  • MF: C17H20O2
  • MW: 256.34
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diflomotecan

Diflomotecan (BN 80915) is a potent inhibitor of topoisomerase I. Diflomotecan causes enhanced plasma stability and has the superior preclinical anti-tumour activity compared with other established compounds[1].

  • CAS Number: 220997-97-7
  • MF: C21H16F2N2O4
  • MW: 398.359
  • Catalog: Topoisomerase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 784.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 428.1±32.9 °C

1,4,5,6-Tetrahydroxy-7-prenylxanthone

1,4,5,6-Tetrahydroxy-7-(3-methylbut-2-enyl)xanthone is a nature product that could be isolated from the stem barks of Garcinia xanthochymus. 1,4,5,6-Tetrahydroxy-7-(3-methylbut-2-enyl)xanthone has antiproliferative active. 1,4,5,6-Tetrahydroxy-7-(3-methylbut-2-enyl)xanthone can be used in research of cancer[1].

  • CAS Number: 1001424-68-5
  • MF: C18H16O6
  • MW: 328.32
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 561.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 207.4±23.6 °C

Methylthiomcresol-C4-COOH

Methylthiomcresol-C4-COOH is a hapten[1].

  • CAS Number: 848486-53-3
  • MF: C13H18O3S
  • MW: 254.35
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinolin-4-amine

Abanoquil (U-K52046), an potent and selective α-1 adrenoceptor antagonist, is an anti-arrhythmic agent. Abanoquil can be used for erectile dysfunction research[1][2].

  • CAS Number: 90402-40-7
  • MF: C22H25N3O4
  • MW: 395.45200
  • Catalog: Adrenergic Receptor
  • Density: 1.246g/cm3
  • Boiling Point: 630.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 335ºC

D-Hexamannuronic acid

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

  • CAS Number: 183668-52-2
  • MF: C36H50O37
  • MW: 1074.76
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TNKS-2-IN-2

TNKS-2-IN-2 is a potent and selective inhibitor of TNKS2 with an IC50 of 22 nM[1].

  • CAS Number: 2719726-91-5
  • MF: C26H23N3O6
  • MW: 473.48
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Semastatin 5A.1

Semastatin 5A.1 is an anti-angiogenic 19-amino acid peptides that are derived from proteins containing type I thrombospondin motifs[1].

  • CAS Number: 929555-15-7
  • MF: C85H140N34O25S2
  • MW: 2102.36
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Narirutin

Narirutin, one of the active constituents isolated from Citrus unshiu, has antioxidant and anti-inflammatory activities. Narirutin is a shikimate kinase inhibitor with anti-tubercular potency[1][2].

  • CAS Number: 14259-46-2
  • MF: C27H32O14
  • MW: 580.535
  • Catalog: Inflammation/Immunology
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 924.3±65.0 °C at 760 mmHg
  • Melting Point: 152-190ºC
  • Flash Point: 307.3±27.8 °C

Sitostenone

β-Sitostenone is a sterols that can be isolated from Cochlospermum vitifolium.β-Sitostenone inhibits tyrosinase activity, and has anti-melanogenic and anti-tumor activities[1][2][3].

  • CAS Number: 1058-61-3
  • MF: C29H48O
  • MW: 412.69
  • Catalog: Tyrosinase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 503.8±17.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 263.7±11.8 °C

Tegafur

Tegafur (also known as Ftorafur) is a chemotherapeutic 5-FU prodrug used in the treatment of cancers; is a component of tegafur-uracil. IC50 value: Target: Nucleoside antimetabolite/analogTegafur is bioactivated to 5-FU by liver microsomal cytochrome P450 enzymes. 5-FU is subsequently converted into its active metabolites 5-fluoro-deoxyuridine-monophosphate (FdUMP) and 5-fluorouridine-triphosphate (FUTP) intracellularly; these metabolites inhibit the enzyme thymidylate synthase and intercalate into RNA, resulting in decreased thymidine synthesis, reduced DNA synthesis, disrupted RNA function, and tumor cell cytotoxicity.

  • CAS Number: 17902-23-7
  • MF: C8H9FN2O3
  • MW: 200.167
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 171-173 °C(lit.)
  • Flash Point: N/A

AChE/BChE-IN-4

AChE/BChE-IN-4 (BMC-3) is a dual AChE and BChE inhibitor with IC50 values of 792 nM and 2.2 nM against human AChE (hAChE) and human BChE (hBChE), respectively. AChE/BChE-IN-4 can cross the BBB[1].

  • CAS Number: 2294963-47-4
  • MF: C17H26N2O3
  • MW: 306.40
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Orotic Acid-13C,15N2 Monohydrate

Orotic acid-13C,15N2 (monohydrate) is the 13C and 15N labeled Orotic acid[1]. Orotic acid (6-Carboxyuracil), a precursor in biosynthesis of pyrimidine nucleotides and RNA, is released from the mitochondrial dihydroorotate dehydrogenase (DHODH) for conversion to UMP by the cytoplasmic UMP synthase enzyme. Orotic acid is a marker for measurement in routine newborn screening for urea cycle disorders. Orotic acid can induce hepatic steatosis and hepatomegaly in rats[2][3][4].

  • CAS Number: 1346602-15-0
  • MF: C5H6N2O5
  • MW: 177.13854
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

K-Ras G12C-IN-2

K-Ras G12C-IN-2 is a novel and irreversible inhibitor of G12C mutant K-Ras protein.

  • CAS Number: 1629267-75-9
  • MF: C21H27ClN4O3
  • MW: 418.917
  • Catalog: Ras
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 675.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 362.4±31.5 °C

Cyperenone

Cyperotundone is a sesquiterpene isolated from Nagarmotha (Cyperus rotundus)[1][2].

  • CAS Number: 3466-15-7
  • MF: C15H22O
  • MW: 218.33500
  • Catalog: Others
  • Density: 1.03±0.1 g/cm3
  • Boiling Point: 318.7±9.0℃ at 760 mmHg
  • Melting Point: 48 ºC
  • Flash Point: N/A

benzil-d10

Benzil-d10 is the deuterium labeled Benzil[1].

  • CAS Number: 77092-81-0
  • MF: C14D10O2
  • MW: 220.29000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RM-493

Setmelanotide acetate (RM-493 acetate) is a selective melanocortin 4 receptor (MC4R) agonist with EC50s of 0.27 nM and 0.28 nM for human and rat MC4R, respectively[1].

  • CAS Number: 1504602-49-6
  • MF: C49H68N18O9S2.xC2H4O2
  • MW:
  • Catalog: Endocrinology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ROS inducer 1

ROS inducer 1 (compound I29) is a fungicide, with EC50 against Xanthomonas axonopodis pv. citri (Xac), Xanthomonas oryzae pv. oryzae (Xoo), and Pseudomonas syringae pv. actinidiae (Psa) of 5.73, 6.62 and 9.05 μg/mL. ROS inducer 1 can effectively induce the production of ROS in Xanthomonas cells and inhibit rice bacterial blight. ROS inducer 1 has the potential to study bacterial infection in crops[1].

  • CAS Number: 2921602-31-3
  • MF: C24H27FN4O
  • MW: 406.50
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Arg-Glu-OH

Arg-Glu is a biologically active peptide.

  • CAS Number: 15706-89-5
  • MF: C11H21N5O5
  • MW: 303.31500
  • Catalog: Others
  • Density: 1.54g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

abecomotide

Abecomotide is a biological active peptide. (an immunological agent for active immunization)

  • CAS Number: 907596-50-3
  • MF: C45H79N13O16
  • MW: 1058.19
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1579.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 909.1±34.3 °C

6alpha-Methylprednisolone sodium succinate

6α-Methylprednisolone 21-hemisuccinate sodium salt is a glucocorticoid of slightly longer half-life than that of Prednisolone. It has potential uses in antiinflammatory agents.

  • CAS Number: 2375-03-3
  • MF: C26H33NaO8
  • MW: 496.525
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: 689.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 230.7ºC

AP-C3

AP-C3 is a potent inhibitor of guanosine 3′,5′-cyclic monophosphate (cGMP)-dependent protein kinase II (cGKII) with a pIC50 of 6.3. AP-C3 only weakly inhibits cGKII-dependent anion secretion[1].

  • CAS Number: 682795-78-4
  • MF: C22H23N3O4
  • MW: 393.44
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A