CHEMBL508044


SMILES COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12
InChIKey ZQUSYVORYNBGLG-FQEVSTJZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 522.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6ZA8

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pKi 5.48 5.48 5.48 ChEMBL
δ OPRD Human Opioid A pKi 5.28 5.28 5.28 ChEMBL
μ OPRM Human Opioid A pKi 5.47 5.47 5.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NTS1 NTR1 Human Neurotensin A pEC50 6.12 6.47 7.17 ChEMBL