CHEMBL4741230


SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O
InChIKey UFKIKPLPYOYMOM-USJMABIRSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 17
Rotatable bonds 27
Molecular weight (Da) 1386.6

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pIC50 4.98 4.98 4.98 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 4.97 4.97 4.97 ChEMBL
UT UR2R Human Urotensin A pEC50 8.84 8.84 8.84 ChEMBL
UT UR2R Human Urotensin A pIC50 8.7 8.7 8.7 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 5.12 5.12 5.12 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 5.53 5.53 5.53 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 5.06 5.06 5.06 ChEMBL