GproteinDb

CHEMBL4216870

Agent/drug
Bioactivity

CHEMBL4216870

SMILES	NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1
InChIKey	UFIMBHYPDHTMKA-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	15
Molecular weight (Da)	697.4

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	5.75	5.75	5.75	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.96	5.96	5.96	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	5.90	5.90	5.90	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	7.55	7.55	7.55	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.01	6.01	6.01	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.25	5.25	5.25	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.08	5.08	5.08	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.12	5.12	5.12	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.09	5.09	5.09	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.80	5.80	5.80	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	5.97	5.97	5.97	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	6.44	6.44	6.44	ChEMBL
P2Y₁₄	P2Y14	Human	P2Y	A	pKi	7.17	7.17	7.17	ChEMBL

Showing 1 to 13 of 13 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

P2Y₁₄	P2Y14	Human	P2Y	A	pIC50	6.94	7.27	7.59	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4216870

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.