compound 10 [PMID: 18759424]

Ligand id: 8838

Name: compound 10 [PMID: 18759424]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 57.53
Molecular weight 436.18
XLogP 9.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-[3-chloro-4-[3-(3,5-dimethyl-1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid
Synonyms
3-Cl-AHPC analogue 10
Database Links
ChEMBL Ligand CHEMBL461415
GtoPdb PubChem SID 252827495
PubChem CID 23577110
Search Google for chemical match using the InChIKey DIXYWCRPNNUEHU-XBXARRHUSA-N
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Comments
Compound 10 is one of the most potent inhibitors of SHP (NR0B2) reported in [1].