GPCRdb

CHEMBL592969

Agent/drug
Bioactivity

CHEMBL592969

No image available

SMILES	CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)[C@@H]2CCCN2C1=O
InChIKey	CYKFSGXEZOAASR-KMWMRXANSA-N

Chemical Properties

Hydrogen bond acceptors	12
Hydrogen bond donors	10
Rotatable bonds	16
Molecular weight (Da)	1210.4

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	7.27	7.27	7.27	ChEMBL
μ	OPRM	Rat	Opioid	A	pKi	6.80	6.80	6.80	ChEMBL
NK₁	NK1R	Rat	Tachykinin	A	pKi	8.15	8.15	8.15	ChEMBL
NK₁	NK1R	Human	Tachykinin	A	pKi	9.60	9.60	9.60	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pIC50	7.72	7.72	7.72	ChEMBL
δ	OPRD	Human	Opioid	A	pEC50	7.88	7.88	7.89	ChEMBL
δ	OPRD	Human	Opioid	A	pIC50	6.93	6.93	6.93	ChEMBL
μ	OPRM	Rat	Opioid	A	pEC50	7.66	7.66	7.66	ChEMBL
μ	OPRM	Rat	Opioid	A	pIC50	6.50	6.50	6.50	ChEMBL
NK₁	NK1R	Rat	Tachykinin	A	pIC50	7.65	7.65	7.65	ChEMBL
NK₁	NK1R	Human	Tachykinin	A	pIC50	9.31	9.31	9.31	ChEMBL

Showing 1 to 7 of 7 entries

CHEMBL592969

No image available

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.