CHEMBL4789659


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](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O
InChIKey MAEMKRFOORLALZ-YEJMJCSASA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 20
Rotatable bonds 36
Molecular weight (Da) 1393.8

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 10.05 10.05 10.05 ChEMBL
NTS1 NTR1 Human Neurotensin A pKi 9.37 9.37 9.37 ChEMBL
δ OPRD Human Opioid A pKi 7.25 7.25 7.25 ChEMBL
κ OPRK Human Opioid A pKi 7.11 7.11 7.11 ChEMBL
μ OPRM Human Opioid A pKi 8.88 8.88 8.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 9.62 9.62 9.62 ChEMBL
δ OPRD Human Opioid A pEC50 6.52 6.52 6.52 ChEMBL
κ OPRK Human Opioid A pEC50 6.29 6.29 6.29 ChEMBL
μ OPRM Human Opioid A pEC50 5.88 6.88 7.89 ChEMBL