compound 2 [PMID: 24793972]


SMILES CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](CC)C)N
InChIKey OBGKRTYDTRUMGO-RFNYNIMXSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 455.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7EJX

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR88 GPR88 Human A orphans A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR88 GPR88 Human A orphans A pEC50 6.22 6.22 6.22 Guide to Pharmacology
GPR88 GPR88 Human A orphans A pEC50 6.9 7.5 8.52 ChEMBL
GPR88 GPR88 Mouse A orphans A pEC50 5.94 5.94 5.94 ChEMBL