CHEMBL2030687 [156387]



CHEMBL2030687


SMILES CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC(C)=O
InChIKey FVMKJEVPLWCLMC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Log P 4.103
Molecular weight (Da) 343.1
Stereochemistry info unspecified

Database connections

Structure pdb 6ZDR
Ligand site mutations A2A

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

CHEMBL2030687


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 6ZDR
Ligand site mutations A2A

Compound is not listed as a drug.