GPCRdb

CHEMBL235106

Agent/drug
Bioactivity

CHEMBL235106

SMILES	C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
InChIKey	YICNJKARNVERTG-LNMMVMNESA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	6
Rotatable bonds	15
Molecular weight (Da)	642.4

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	7.85	7.85	7.85	ChEMBL
μ	OPRM	Rat	Opioid	A	pKi	7.85	7.85	7.85	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pIC50	6.42	6.42	6.42	ChEMBL
δ	OPRD	Human	Opioid	A	pEC50	6.29	6.29	6.29	ChEMBL
δ	OPRD	Human	Opioid	A	pIC50	7.51	7.51	7.51	ChEMBL
μ	OPRM	Rat	Opioid	A	pEC50	6.90	6.90	6.90	ChEMBL
μ	OPRM	Rat	Opioid	A	pIC50	7.52	7.52	7.52	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL235106

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.