GPCRdb

CHEMBL226217

Agent/drug
Bioactivity

CHEMBL226217

SMILES	Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2
InChIKey	HBUZKCMRMAMMDZ-YRISNDGFSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	2
Rotatable bonds	2
Molecular weight (Da)	367.2

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	9.64	9.64	9.64	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	10.15	10.15	10.15	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	9.92	9.92	9.92	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	9.77	9.77	9.77	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	9.21	9.34	9.47	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	8.52	8.63	8.74	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	9.40	9.40	9.40	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL226217

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.