GPCRdb

CHEMBL3577343

Agent/drug
Bioactivity

CHEMBL3577343

SMILES	C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1
InChIKey	XPMUUENUQYZASR-MHZLTWQESA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	18
Molecular weight (Da)	551.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	4.85	4.85	4.85	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.41	5.41	5.41	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.00	8.16	8.31	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.66	8.66	8.66	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.75	6.75	6.75	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	4.32	4.32	4.32	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	5.54	6.20	7.05	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL3577343

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.