CHEMBL4457100 [335606]



CHEMBL4457100


SMILES CCNC(=O)[C@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12
InChIKey HHUDQJYTXZNZNP-LEYWQVPRSA-N

Chemical Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Log P 4.727
Molecular weight (Da) 466.3
Stereochemistry info partial

Database connections

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

CHEMBL4457100


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


Compound is not listed as a drug.