GPCRdb

CHEMBL4747286

Agent/drug
Bioactivity

CHEMBL4747286

No image available

SMILES	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O
InChIKey	WAASVRUAWVMHCV-QRURJPQPSA-N

Chemical Properties

Hydrogen bond acceptors	16
Hydrogen bond donors	16
Rotatable bonds	36
Molecular weight (Da)	1337.8

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	6.70	6.70	6.70	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.15	7.15	7.15	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.40	8.40	8.40	ChEMBL
NTS₁	NTR1	Human	Neurotensin	A	pKi	7.23	7.23	7.23	ChEMBL
NTS₂	NTR2	Human	Neurotensin	A	pKi	9.30	9.30	9.30	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.34	6.34	6.34	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	6.40	6.40	6.40	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	5.90	6.73	7.56	ChEMBL
NTS₁	NTR1	Human	Neurotensin	A	pEC50	7.82	7.82	7.82	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL4747286

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.