CHEMBL3647702


SMILES CC(=O)N(CCC(=O)N[C@@H](CN[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)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIKey IHQBULKQURABNA-OJFUHMMESA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 18
Rotatable bonds 28
Molecular weight (Da) 1658.9

Drug properties

Molecular type Small molecule
Endogenous/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 7.61 7.61 7.61 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 8.14 8.14 8.14 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.49 9.49 9.49 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.28 9.28 9.28 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 9.05 9.05 9.05 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database