CHEMBL3647712


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](NC(=O)[C@@H](Cc2ccc(O)cc2)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 XCRPIQQWBBGNRM-RJSYSLSQSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 18
Rotatable bonds 26
Molecular weight (Da) 1615.8

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
D2 DRD2 Human Dopamine A pKi 7.6 7.6 7.6 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 8.86 8.86 8.86 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 8.61 8.61 8.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database