CHEMBL3647676


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](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 PTIFFBYOEZNBTJ-BGUUXQBZSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 18
Rotatable bonds 27
Molecular weight (Da) 1602.8

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
D2 DRD2 Human Dopamine A pKi 6.74 6.74 6.74 ChEMBL
SST1 SSR1 Human Somatostatin A pKi 7.42 7.42 7.42 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.92 9.92 9.92 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 7.97 7.97 7.97 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 7.03 7.03 7.03 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.04 9.04 9.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database