AZD7687   Click here for help

GtoPdb Ligand ID: 7827

Synonyms: AZD 7687 | AZD-7687
Compound class: Synthetic organic
Comment: AZD7687 is a potent and selective inhibtor of diacylglycerol O-acyltransferase 1 (DGAT1).
This compound was in the AstraZeneca/MRC repurposing list from 2011.
PubChem CID 42636350 represents ths molecule wih no specified stereochemisrty.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 106.17
Molecular weight 367.19
XLogP 3.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Isomeric SMILES OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
InChI Key YXFNPRHZMOGREC-SHTZXODSSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
AZD 7687 | AZD-7687
Database Links Click here for help
CAS Registry No. 1166827-44-6 (source: Scifinder)
ChEMBL Ligand CHEMBL2178953
GtoPdb PubChem SID 223366158
PubChem CID 42636350
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