Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0LB0X
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| Former ID |
DIB018009
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| Drug Name |
KH064
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| Synonyms |
sPLA2-2A inhibitor, compound 2b
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD-11: 2C60-2C65] | Clinical trial | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C31H37NO4
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| Canonical SMILES |
C1=CC=C(C=C1)CCCCCCC(=O)NC(CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3
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| InChI |
1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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| InChIKey |
KWLUIYFCMHKLKY-NDEPHWFRSA-N
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| CAS Number |
CAS 393569-31-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Group IIA phospholipase A2 (GIIA sPLA2) | Target Info | Inhibitor | [1] |
| BioCyc | Phospholipases | |||
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Ether lipid metabolism | ||||
| Arachidonic acid metabolism | ||||
| Linoleic acid metabolism | ||||
| alpha-Linolenic acid metabolism | ||||
| Metabolic pathways | ||||
| Ras signaling pathway | ||||
| Vascular smooth muscle contraction | ||||
| Pancreatic secretion | ||||
| Fat digestion and absorption | ||||
| Pathway Interaction Database | Glypican 1 network | |||
| Reactome | Acyl chain remodelling of PC | |||
| Acyl chain remodelling of PE | ||||
| Acyl chain remodelling of PI | ||||
| WikiPathways | Cardiac Hypertrophic Response | |||
| Glycerophospholipid biosynthesis | ||||
| Glycerophospholipid Biosynthetic Pathway | ||||
| Spinal Cord Injury | ||||
| Eicosanoid Synthesis | ||||
| MicroRNAs in cardiomyocyte hypertrophy | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | D-Tyrosine as a chiral precusor to potent inhibitors of human nonpancreatic secretory phospholipase A2 (IIa) with antiinflammatory activity. Chembiochem. 2003 Mar 3;4(2-3):181-5. | |||
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