GPCRdb

CHEMBL2397020

Agent/drug
Bioactivity

CHEMBL2397020

SMILES	O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1
InChIKey	BFWDKCMZDSXLMZ-RTOPKKFASA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	445.2

Database connections

ChEMBL_compound_ids 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	7.02	7.03	7.03	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.44	9.44	9.44	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.82	8.82	8.82	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	7.71	7.71	7.71	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.76	8.76	8.76	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL2397020

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.