CHEMBL4527856


SMILES COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
InChIKey JVPMJFUBODFGNB-FWPDKWGDSA-N

Chemical properties

Hydrogen bond acceptors 26
Hydrogen bond donors 15
Rotatable bonds 27
Molecular weight (Da) 1784.7

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 pKd 6.51 6.51 6.51 ChEMBL
SST4 SSR4 Human Somatostatin A pKd 5.26 5.26 5.26 ChEMBL
SST5 SSR5 Human Somatostatin A pKd 8.02 8.02 8.02 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 10.66 10.66 10.66 ChEMBL
SST3 SSR3 Human Somatostatin A pKd 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Human Somatostatin A pEC50 9.0 9.0 9.0 ChEMBL