GPCRdb

CHEMBL4648920

Agent/drug
Bioactivity

CHEMBL4648920

SMILES	CN(C)Cc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5
InChIKey	VBHIKBZBHGDIER-YLLCFIMHSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	10
Molecular weight (Da)	627.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	7.85	7.85	7.85	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.64	7.64	7.64	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.25	7.25	7.25	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pIC50	7.93	7.93	7.93	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.54	7.54	7.54	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4648920

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.