GPCRdb

CHEMBL4115318

Agent/drug
Bioactivity

CHEMBL4115318

SMILES	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@@H]4C(=O)O)nc4ccccc41)C2)C3
InChIKey	YSMGRXHMHZXHMK-HTXQCSLESA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	516.3

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	5.46	5.46	5.46	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	6.86	6.86	6.86	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.41	7.41	7.41	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pEC50	7.27	7.27	7.27	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4115318

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.