GproteinDb

CHEMBL508044

Agent/drug
Bioactivity

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

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	6ZA8

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

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
NTS₁	NTR1	Human	Neurotensin	A	pKi	5.48	5.48	5.48	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

NTS₁	NTR1	Human	Neurotensin	A	pEC50	6.12	6.47	7.17	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL508044

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	6ZA8

Compound is not listed as a drug.