CHEMBL3647688


SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)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(O)cc2)NC1=O
InChIKey JIIISTFEPCPGJL-MYUCLKGASA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 17
Rotatable bonds 23
Molecular weight (Da) 1471.8

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 7.0 7.0 7.0 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 8.49 8.49 8.49 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.13 9.13 9.13 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.28 9.75 10.22 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 6.84 6.84 6.84 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.59 7.04 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database