GPCRdb

CHEMBL3354065

Agent/drug
Bioactivity

CHEMBL3354065

SMILES	CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1
InChIKey	PHMGZAICAOYEAF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	328.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	6ZFZ 8JIM 8HQM
Ligand site mutations	M₁ M₂

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	6.36	6.36	6.36	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	6.11	6.11	6.11	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.00	6.00	6.00	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pKi	4.32	4.32	4.32	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	4.36	4.36	4.36	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.17	6.17	6.17	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.21	6.21	6.21	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	9.01	9.01	9.01	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	6.50	6.50	6.50	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	6.69	6.69	6.69	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	5.92	5.92	5.92	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	6.68	6.68	6.68	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	5.27	5.27	5.27	ChEMBL

Showing 1 to 13 of 13 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₄	DRD4	Human	Dopamine	A	pIC50	6.93	7.58	8.22	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pEC50	6.08	6.85	7.46	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	5.80	6.28	6.76	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pIC50	4.32	5.46	6.75	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pEC50	6.56	6.56	6.56	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL3354065

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
Structure pdb	6ZFZ 8JIM 8HQM
Ligand site mutations	M₁ M₂

Compound is not listed as a drug.