GPCRdb

CHEMBL504986

Agent/drug
Bioactivity

CHEMBL504986

No image available

SMILES	N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
InChIKey	ROTHBSFMHAHRTG-VLGXOXMCSA-N

Chemical Properties

Hydrogen bond acceptors	11
Hydrogen bond donors	11
Rotatable bonds	12
Molecular weight (Da)	893.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MC₁	MSHR	Human	Melanocortin	A	pKi	6.90	6.90	6.90	ChEMBL
MC₃	MC3R	Human	Melanocortin	A	pKi	6.50	6.50	6.50	ChEMBL
MC₄	MC4R	Human	Melanocortin	A	pKi	8.80	8.80	8.80	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MC₁	MSHR	Human	Melanocortin	A	pEC50	5.90	7.30	8.70	ChEMBL
MC₁	MSHR	Human	Melanocortin	A	pIC50	8.43	8.43	8.43	ChEMBL
MC₃	MC3R	Human	Melanocortin	A	pEC50	5.30	7.00	8.70	ChEMBL
MC₃	MC3R	Human	Melanocortin	A	pIC50	7.40	7.40	7.40	ChEMBL
MC₄	MC4R	Human	Melanocortin	A	pEC50	6.30	6.87	7.43	ChEMBL
MC₄	MC4R	Human	Melanocortin	A	pIC50	7.33	7.33	7.33	ChEMBL
MC₅	MC5R	Human	Melanocortin	A	pIC50	6.72	6.72	6.72	ChEMBL
MC₅	MC5R	Human	Melanocortin	A	pEC50	7.36	7.36	7.36	ChEMBL

Showing 1 to 8 of 8 entries

CHEMBL504986

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.