CHEMBL4750783


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O
InChIKey VZDNJIOWZQXYGZ-ZJSCUCBRSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 15
Rotatable bonds 33
Molecular weight (Da) 1349.8

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
NTS2 NTR2 Human Neurotensin A pKi 7.12 7.12 7.12 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 5.17 5.17 5.17 ChEMBL
δ OPRD Human Opioid A pKi 6.68 6.68 6.68 ChEMBL
κ OPRK Human Opioid A pKi 6.82 6.82 6.82 ChEMBL
μ OPRM Human Opioid A pKi 8.21 8.21 8.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.08 6.08 6.08 ChEMBL
κ OPRK Human Opioid A pEC50 5.81 5.81 5.81 ChEMBL
μ OPRM Human Opioid A pEC50 5.67 6.5 7.34 ChEMBL