CHEMBL180126 [136045]



CHEMBL180126


SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)C2C1=O
InChIKey KFVUSZPWUZBAPF-LKTZHPIXSA-N

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Log P 3.058
Molecular weight (Da) 434.2
Stereochemistry info partial

Database connections

Structure pdb 8DZP 8DZQ
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

CHEMBL180126


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 8DZP 8DZQ

Compound is not listed as a drug.