CHEMBL1099306


SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)nn4)cc(C(=O)NCCOc4cc(OCCNC(=O)c5cc(OCc6cn(CCCCCC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)cc(OCc6cn(CCCCCC(=O)N[C@H](Cc7ccccc7)C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc8ccc(O)cc8)NC7=O)nn6)c5)cc(C(=O)NS(=O)(=O)CCNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)c4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
InChIKey UHBKNMMOFHSNFW-MIMMDTQKSA-N

Chemical properties

Hydrogen bond acceptors 91
Hydrogen bond donors 63
Rotatable bonds 131
Molecular weight (Da) 5850.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Rat Somatostatin A pIC50 7.85 7.85 7.85 ChEMBL