CHEMBL4761165


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C
InChIKey VAWMSFOVHRCJAX-LUSMBWRKSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 40
Molecular weight (Da) 1357.8

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
NTS2 NTR2 Human Neurotensin A pKi 7.53 7.53 7.53 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 6.73 6.73 6.73 ChEMBL
δ OPRD Human Opioid A pKi 7.33 7.33 7.33 ChEMBL
κ OPRK Human Opioid A pKi 7.47 7.47 7.47 ChEMBL
μ OPRM Human Opioid A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 7.72 7.72 7.72 ChEMBL
δ OPRD Human Opioid A pEC50 6.32 6.32 6.32 ChEMBL
κ OPRK Human Opioid A pEC50 7.33 7.33 7.33 ChEMBL
μ OPRM Human Opioid A pEC50 6.02 6.95 7.88 ChEMBL