CHEMBL9643


SMILES COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIKey IUMQXQJZIHWLIN-QHCPKHFHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 396.1

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
NK3 NK3R Human Tachykinin A pKi 6.03 6.65 7.88 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.08 5.5 5.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 5.5 5.5 5.5 ChEMBL