CHEMBL3647690


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](NCC[S+]([O-])C[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 UIVAPXWJQYWBBS-IVIYCUDDSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 16
Rotatable bonds 23
Molecular weight (Da) 1472.8

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
SST1 SSR1 Human Somatostatin A pKi 8.22 8.22 8.22 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.44 9.44 9.44 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 10.3 10.3 10.3 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database