GPCRdb

CHEMBL3354073

Agent/drug
Bioactivity

CHEMBL3354073

SMILES	O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1
InChIKey	QKTOQRPNKITPLN-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	9
Molecular weight (Da)	358.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pKi	5.93	5.93	5.93	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.17	6.17	6.17	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.36	8.36	8.36	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	6.33	6.33	6.33	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	6.22	6.22	6.22	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	5.72	5.72	5.72	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	6.35	6.35	6.35	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	5.34	5.34	5.34	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₄	DRD4	Human	Dopamine	A	pIC50	6.82	6.86	6.90	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pEC50	6.69	6.82	6.95	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	4.58	5.71	7.54	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pIC50	4.91	5.39	5.79	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pEC50	5.70	5.70	5.70	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL3354073

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.