CHEMBL3647686


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](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](Cc2ccccc2)NC1=O
InChIKey MCDAEUYVUVDWKX-JXHJALMBSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 19
Rotatable bonds 34
Molecular weight (Da) 1880.0

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 7.38 7.38 7.38 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 7.62 7.62 7.62 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 8.81 8.81 8.81 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 8.4 8.4 8.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.41 7.41 7.41 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.89 9.89 9.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database