GPCRdb

CHEMBL4108525

Agent/drug
Bioactivity

CHEMBL4108525

SMILES	COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5
InChIKey	KRDZWSNJWKZJMK-WFNHTRGDSA-N

Chemical Properties

Hydrogen bond acceptors	14
Hydrogen bond donors	2
Rotatable bonds	28
Molecular weight (Da)	713.4

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	5.24	5.24	5.24	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	5.90	5.90	5.90	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.95	6.95	6.95	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	5.36	5.36	5.36	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	5.97	5.97	5.97	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4108525

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.