CHEMBL1950647 [142951]



CHEMBL1950647


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCN)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey UXUFTKZYJYGMGO-CMCWBKRRSA-N

Chemical Properties

Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 12
Log P -1.174
Molecular weight (Da) 541.3
Stereochemistry info partial

Database connections

Ligand site mutations A3

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

CHEMBL1950647


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.