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

Deflazacort

Deflazacort is a glucocorticoid used as an anti-inflammatory and immunosuppressant.Target: Glucocorticoid ReceptorDeflazacort is an inactive prodrug which is converted rapidly to the active metabolite 21-desacetyldeflazacort. Maximum concentrations of 21-desacetyldeflazacort averaged 116 ng/ml and were observed after 1.3 h. The average area under the curve was 280 ng/ml.h, and the terminal half-life was 1.3 h. 21-Desacetyldeflazacort was cleared significantly faster than both methylprednisolone and prednisolone [1]. Two of 40 boys treated with deflazacort died at 13 and 18 years of age from cardiac failure. The treated boys were significantly shorter, did not have excessive weight gain and 22 of 40 had asymptomatic cataracts. Deflazacort has a very significant impact on health, quality of life and health care costs for boys with DMD and their families, and is associated with few side effects [2].

  • CAS Number: 14484-47-0
  • MF: C25H31NO6
  • MW: 441.517
  • Catalog: Glucocorticoid Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 595.4±50.0 °C at 760 mmHg
  • Melting Point: 255-256.5ºC
  • Flash Point: 313.9±30.1 °C

PIM1-IN-6

PIM1-IN-6 (compound 5h) is a potent PIM-1 inhibitor, with an IC50 of 0.60 μM. PIM1-IN-6 shows the high cytotoxicity activity against HCT-116 and MCF-7 cells, with IC50 values of 1.51 and 15.2 μM, respectively[1].

  • CAS Number: 2439168-69-9
  • MF: C21H18N6O4
  • MW: 418.41
  • Catalog: Pim
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZD-7295

AZD-7295 is a HCV NS5A protein inhibitor, with an EC50 of 7 nM for GT-1b replicon[1][2].

  • CAS Number: 929890-64-2
  • MF: C32H35F3N4O5S
  • MW: 644.70
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HCV-IN-29

HCV-IN-29 is a hepatitis C virus (HCV) inhibitor exacted from patent US8329159B2, compound 1e[1].

  • CAS Number: 1009119-83-8
  • MF: C26H32Cl4N6
  • MW: 570.385
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML 221

ML221 is a potent apelin (APJ) functional antagonist, inhibiting apelin-13-mediated activation of APJ, with IC50s of 0.70 μM in the cAMP assay, and 1.75 μM in the β-arrestin assay, and EC80 of 10 nM in both assays.

  • CAS Number: 877636-42-5
  • MF: C17H11N3O6S
  • MW: 385.35100
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(D-Ala2)-Leu-Enkephalin amide

[D-Ala2] Leu-Enkephalinamide is an enkephalin analog. [D-Ala2] Leu-Enkephalinamide has great corneal permeability and analgesic effect. [D-Ala2] Leu-Enkephalinamide can be used for the research of ocular diseases[1][2].

  • CAS Number: 65189-64-2
  • MF: C29H40N6O6
  • MW: 568.66400
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3’-Deoxy-3’-α-C-methyl-5-methyluridine

3’-Deoxy-3’-α-C-methyl-5-methyluridine 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: 847650-50-4
  • MF: C11H16N2O5
  • MW: 256.26
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

α-Hydroxyglutaric acid-d4 disodium

α-Hydroxyglutaric acid-d4 (disodium) is the deuterium labeled α-Hydroxyglutaric acid disodium[1]. α-Hydroxyglutaric acid (2-Hydroxyglutarate) disodium is an α-hydroxy acid form of glutaric acid. α-Hydroxyglutaric acid disodium is a competitive inhibitor of multiple α-ketoglutarate-dependent dioxygenases, including histone demethylases and the TET family of 5-methlycytosine (5mC) hydroxylases[2].

  • CAS Number: 2483831-91-8
  • MF: C5H2D4Na2O5
  • MW: 196.10
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PFE-360

PFE-360 is a potent, selective, brain penetrated and orally active leucine-rich repeat kinase 2 (LRRK2) inhibitor with a mean IC50 of 2.3 nM in vivo[1][2].

  • CAS Number: 1527475-61-1
  • MF: C16H16N6O
  • MW: 308.34
  • Catalog: LRRK2
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMS-764459

BMS-764459 is a CRF1 antagonist. BMS-764459 can be used for the research of neurological disorders such as depression and anxiety. BMS-764459 is also an atypical CYP1A1 inducer[1][2].

  • CAS Number: 1188407-45-5
  • MF: C19H21F2N5O3
  • MW: 405.39900
  • Catalog: CRFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Shizukaol B

Shizukaol B is a lindenane-type dimeric sesquiterpene, used to be isolated from the whole plant of Chloranthus henryi. Shizukaol B has anti-inflammatory effect against lipopolysaccharide (LPS)-induced activation of BV2 microglial cells. Shizukaol B inhibits iNOS and COX-2, and suppresses NO production, TNF-α, and IL-1β expression[1].

  • CAS Number: 142279-40-1
  • MF: C40H44O13
  • MW: 732.77000
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Succinylglycine

N-Succinylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 5694-33-7
  • MF: C6H9NO5
  • MW: 175.13900
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

beta-L-D4A

NSC 108602 is a nucleoside HIV-1 reverse transcriptase inhibitor.

  • CAS Number: 7057-48-9
  • MF: C10H11N5O2
  • MW: 233.22700
  • Catalog: HIV
  • Density: 1.74 g/cm3
  • Boiling Point: 553.9ºC at 760 mmHg
  • Melting Point: 187-189ºC
  • Flash Point: 288.8ºC

Tilfrinib

Tilfrinib (compound 4f) is a potent and selective inhibitor of breast tumor kinase (Brk) with an IC50 of 3.15 nM, which displays anti-proliferative activity and acts as a promising antitumor agent[1].

  • CAS Number: 1600515-49-8
  • MF: C17H13N3O
  • MW: 275.305
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 560.6±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 292.8±25.9 °C

N-Hexanoyl-DL-homoserine lactone

N-Hexanoyl-DL-homoserine lactone is a bacterial quorum sensing molecule produced in the rhizosphere. N-Hexanoyl-DL-homoserine lactone, a bacterial quorum sensing signal, induces transcriptional changes in Arabidopsis and may contribute to tuning plant growth to the microbial composition of the rhizosphere[1].

  • CAS Number: 106983-28-2
  • MF: C10H17NO3
  • MW: 199.24700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 101-106 °C
  • Flash Point: N/A

CCT244747

CCT244747 is a potent, orally bioavailable and highly selective CHK1 inhibitor, with an IC50 of 7.7 nM; CCT244747 also abrogates G2 checkpoint with an IC50 of 29 nM.

  • CAS Number: 1404095-34-6
  • MF: C20H24N8O2
  • MW: 408.45700
  • Catalog: Checkpoint Kinase (Chk)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfapyridine

Sulfapyridine(Dagenan) is a sulfonamide antibacterial.Target: AntibacterialSulfapyridine(Dagenan) is a sulfonamide antibacterial. Sulfapyridine is not prescribed for the treatment in humans any more. However, it may be used to treat Linear IgA Disease. It is a good antibacterial drug, but its water solubility is very dependent on PH. Thus, there is a risk of crystallization within the bladder or urethra, which could lead to pain or blockage. The drug sulfasalazine is structurally one molecule of mesalamine linked to one molecule of Sulfapyridine with an azo bond [1].

  • CAS Number: 144-83-2
  • MF: C11H11N3O2S
  • MW: 249.289
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 473.5±51.0 °C at 760 mmHg
  • Melting Point: 191-193°C
  • Flash Point: 240.2±30.4 °C

PC-766B

PC-766B is a macrolide antibiotic. PC-766B is active against Gram-positive bacteria, and some fungi and yeasts, but inactive against Gram-negative bacteria. PC-766B shows antitumor activity against murine tumor cells. PC-766B has weak inhibitory activity against Na+, K+-ATPase[1][2].

  • CAS Number: 108375-77-5
  • MF: C43H68O12
  • MW: 776.99
  • Catalog: Bacterial
  • Density: 1.17g/cm3
  • Boiling Point: 884.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 255.2ºC

AT13387

Onalespib (AT13387) is a potent inhibitor of Hsp90, with a Kd of 0.71 nM.

  • CAS Number: 912999-49-6
  • MF: C24H31N3O3
  • MW: 409.521
  • Catalog: HSP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 605.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 320.1±31.5 °C

1,2-DIAMINOANTHRAQUINONE

1,2-Diaminoanthraquinone is a sensitivity, specificity and nontoxic nitric oxide (NO) fluorescent probe. 1,2-Diaminoanthraquinone can be used to detect NO productions in live cell and animals with a maximum of absorption at about 540 nm and a detection limit of 5 μM for NO[1][2].

  • CAS Number: 1758-68-5
  • MF: C14H10N2O2
  • MW: 238.24100
  • Catalog: Others
  • Density: 1.456 g/cm3
  • Boiling Point: 548.8ºC at 760 mmHg
  • Melting Point: 289-291 °C(lit.)
  • Flash Point: 285.7ºC

Flavin adenine dinucleotide disodium salt

Flavin Adenine Dinucleotide Disodium is a redox cofactor, more specifically a prosthetic group of a protein, involved in several important enzymatic reactions in metabolism.

  • CAS Number: 84366-81-4
  • MF: C27H31N9Na2O15P2
  • MW: 829.51
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nodakenetin

Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2].

  • CAS Number: 495-32-9
  • MF: C14H14O4
  • MW: 246.259
  • Catalog: Inflammation/Immunology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 434.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 168.0±22.2 °C

(Rac)-Methylindazone

(Rac)-Methylindazone ((Rac)-IAA-94) is the racemate of Methylindazone. Methylindazone is a potent CLIC1 channel blocker[1].

  • CAS Number: 53108-00-2
  • MF: C17H18Cl2O4
  • MW: 357.23
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzaldehyde-PEG4-azide

Benzaldehyde-PEG4-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1151451-77-2
  • MF: C15H21N3O5
  • MW: 323.34
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Azaspiro[5.5]undecane,hydrochloride (1:1)

3-Azaspiro[5.5]undecane (4,4-Pentamethylenepiperidine) hydrochloride is an inhibitor targeting the WT influenza A virus M2 (A/M2), with an IC50 of 1 μM[1].

  • CAS Number: 1125-01-5
  • MF: C10H20ClN
  • MW: 189.73
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: 273.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 119.3ºC

IDH1 Inhibitor 7

IDH1 Inhibitor 7 (Compound 88) is an IDH1 inhibitor with an IC50 of less than 100 nM[1].

  • CAS Number: 2135309-56-5
  • MF: C22H24F3N7O
  • MW: 459.47
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nimesulide D5

Nimesulide D5 is a deuterium labeled Nimesulide. Nimesulide is a selective COX-2 inhibitor, with IC50s of 70 nM-70 μM in a time-dependent manner, but it shows no effect on COX-1 (IC50 >100 μM). Nimesulide has potent anti-inflammatory, analgesic and antipyretic properties[1][2].

  • CAS Number: 1330180-22-7
  • MF: C13H7D5N2O5S
  • MW: 313.34
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Adenosine-d2

Adenosine-d2 is the deuterium labeled Adenosine. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physio

  • CAS Number: 82741-17-1
  • MF: C10H11D2N5O4
  • MW: 269.25
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PCI-32765 (Racemate)

Ibrutinib Racemate (PCI-32765 Racemate) is the racemate of Ibrutinib. Ibrutinib is a selective, irreversible Btk inhibitor with IC50 value of 0.5 nM.

  • CAS Number: 936563-87-0
  • MF: C25H24N6O2
  • MW: 440.49700
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Entrectinib

Entrectinib is a potent and orally available Trk, ROS1, and ALK inhibitor; inhibits TrkA, TrkB, TrkC, ROS1 and ALK with IC50 values of 1, 3, 5, 12 and 7 nM, respectively.

  • CAS Number: 1108743-60-7
  • MF: C31H34F2N6O2
  • MW: 560.638
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 717.5±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 387.7±32.9 °C