CHEMBL138781 [63526]



CHEMBL138781


SMILES OCC12CC1C(n1cnc3c(NCc4cccc(I)c4)ncnc31)C(O)C2O
InChIKey VIXCVSNTFYSXDO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Log P 1.318
Molecular weight (Da) 493.1
Stereochemistry info unspecified

Database connections

Ligand site mutations A3
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

CHEMBL138781


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

Ligand site mutations A3

Compound is not listed as a drug.