compound 17 [PMID: 24257095]


SMILES CC(C[C@@H](c1occ(n1)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)c1c[nH]c2c1cccc2)C
InChIKey WGEOKEOSKNNXJR-ROUUACIJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 497.2

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
D3 DRD3 Human Dopamine A pKi 8.8 8.8 8.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database