BMS compound 87b


SMILES CC[C@@H]([C@H]1C[C@H](CCN1CCCNC(=O)Nc1cccc(c1)C(=O)C)Cc1ccccc1)O
InChIKey UEKNCACYTQCRSI-RCXJIHSJSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 451.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 6.72 6.72 6.72 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.7 7.7 7.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.3 5.3 5.3 Guide to Pharmacology
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
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.4 5.4 5.4 ChEMBL