GPCRdb

CHEMBL5430894

Agent/drug
Bioactivity

CHEMBL5430894

SMILES	COc1cccc(Cn2nc(CNCc3cccc(OCc4ccccc4)c3)c3c4cc(OC)c(OC)cc4c(-c4ccccc4Cl)nc32)c1
InChIKey	TUOBOJNLXPRSMI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	13
Molecular weight (Da)	684.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pKi	7.00	7.00	7.00	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.68	6.68	6.68	ChEMBL
κ	OPRK	Human	Opioid	A	pIC50	6.60	6.60	6.60	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.03	8.03	8.03	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5430894

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

Compound is not listed as a drug.