CHEMBL3647705


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](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey XAKTUHLOUGHGRN-QJMHAJMMSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 16
Rotatable bonds 28
Molecular weight (Da) 1737.9

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 7.57 7.57 7.57 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 8.62 8.62 8.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.87 6.87 6.87 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database