ervogastat   Click here for help

GtoPdb Ligand ID: 12241

Synonyms: compound 6 [PMID: 34635855] | PF-06865571 | PF06865571
Compound class: Synthetic organic
Comment: Ervogastat (PF-06865571) is a diacylglycerol O-acyltransferase 2 (DGAT2) inhibitor [2]. DGAT2 inhibition is proposed as a mechanism to reduce hepatic triglyceride (TG) accumulation that underlies hepatic injury in non-alcoholic fatty liver disease.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 108.35
Molecular weight 407.42
XLogP 0.93
No. Lipinski's rules broken 0
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Canonical SMILES CCOc1cccnc1Oc1cncc(c1)c1ncc(cn1)C(=O)N[C@@H]1COCC1
Isomeric SMILES CCOc1cccnc1Oc1cncc(c1)c1ncc(cn1)C(=O)N[C@H]1CCOC1
InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11616 ervogastat
Synonyms Click here for help
compound 6 [PMID: 34635855] | PF-06865571 | PF06865571
Database Links Click here for help
CAS Registry No. 2186700-33-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL4760665
GtoPdb PubChem SID 473153829
PubChem CID 134262752
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