CHEMBL3650456


SMILES C[C@@H](O)[C@@H]1NC(=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)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O
InChIKey JQYQPEJUUNSONE-AMRODCSASA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 19
Rotatable bonds 34
Molecular weight (Da) 1897.0

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
SST1 SSR1 Human Somatostatin A pKi 7.54 7.54 7.54 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.24 9.24 9.24 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database