GPCRdb

CHEMBL4114280

Agent/drug
Bioactivity

CHEMBL4114280

SMILES	Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1
InChIKey	DMCGPNZWXATPEH-MRVPVSSYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	2
Molecular weight (Da)	392.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

NK₁	NK1R	Human	Tachykinin	A	pKi	4.66	4.66	4.66	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pKi	4.60	4.60	4.60	ChEMBL
NK₃	NK3R	Human	Tachykinin	A	pKi	7.62	7.62	7.62	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

NK₃	NK3R	Human	Tachykinin	A	pIC50	7.52	7.52	7.52	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4114280

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.