GPCRdb

CHEMBL4109142

Agent/drug
Bioactivity

CHEMBL4109142

SMILES	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCc5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey	RSYFMDJMLZHEDG-SMHPFREUSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	10
Molecular weight (Da)	569.3

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	6.33	6.33	6.33	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.49	7.49	7.49	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.69	7.69	7.69	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	pEC50	6.39	6.39	6.39	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	7.52	7.52	7.52	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.22	7.22	7.22	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4109142

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.