CHEMBL5812344 [411846]



CHEMBL5812344


SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(C)cn2)nnc1-c1cccc(C)n1
InChIKey HNGYVRSMVVCWGF-KKSFZXQISA-N

Chemical Properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 9
Log P 2.617
Molecular weight (Da) 525.2
Stereochemistry info full

Database connections

Structure pdb 7SUS 7W0M 7W0L
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

CHEMBL5812344


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 7SUS 7W0M 7W0L

Compound is not listed as a drug.