CHEMBL3647711


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](Cc2ccc(O)cc2)NC1=O
InChIKey BYXGHJZXSWDEAC-KUFJZVQMSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 17
Rotatable bonds 28
Molecular weight (Da) 1753.9

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 7.0 7.0 7.0 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.77 9.77 9.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.46 6.46 6.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database