GPCRdb

CHEMBL4241844

Agent/drug
Bioactivity

CHEMBL4241844

No image available

SMILES	CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(C#Cc4csc(C)n4)c3)nn2)cc1)C1CCc2c(O)cccc2C1
InChIKey	JARVFDGWRKYKRC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	12
Hydrogen bond donors	3
Rotatable bonds	28
Molecular weight (Da)	929.5

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pKi	7.30	7.59	7.89	ChEMBL
mGlu₅	GRM5	Human	Metabotropic glutamate	C	pKi	5.64	5.80	5.96	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	8.48	8.48	8.48	ChEMBL
mGlu₅	GRM5	Human	Metabotropic glutamate	C	pIC50	6.77	6.77	6.77	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4241844

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.