CHEMBL3647706


SMILES CC(=O)N(CCCN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIKey JTNWBETZFAYPGW-WWVIOMAKSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 16
Rotatable bonds 24
Molecular weight (Da) 1495.8

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
SST2 SSR2 Human Somatostatin A pKi 9.89 9.89 9.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database