CHEMBL15689


SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1OC(C(=O)O)c1ccccc1
InChIKey IFUYEJOQMQZCAE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 457.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT2 AGTR2 Rat Angiotensin A pIC50 7.33 7.33 7.33 ChEMBL
ETA EDNRA Human Endothelin A pIC50 4.96 4.96 4.96 ChEMBL
ETB EDNRB Human Endothelin A pIC50 4.33 4.33 4.33 ChEMBL
AT1 AGTR1 Rabbit Angiotensin A pIC50 7.96 7.96 7.96 ChEMBL