GPCRdb

CHEMBL519240

Agent/drug
Bioactivity

CHEMBL519240

SMILES	Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1
InChIKey	DJKJVWJQAVGLHJ-YPMHNXCESA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	1
Molecular weight (Da)	327.2

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_1D	ADA1D	Human	Adrenoceptors	A	pKi	5.09	5.09	5.09	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pKi	5.33	5.33	5.33	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.19	5.19	5.19	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	6.55	6.55	6.55	ChEMBL
CCR1	CCR1	Human	Chemokine	A	pKi	10.37	10.37	10.37	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.45	5.67	5.89	ChEMBL
H₃	HRH3	Rat	Histamine	A	pKi	7.87	7.87	7.87	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	6.03	6.03	6.03	ChEMBL
H₄	HRH4	Rat	Histamine	A	pKi	8.47	8.47	8.47	ChEMBL
H₄	HRH4	Human	Histamine	A	pKi	7.10	7.69	8.24	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pKi	8.51	8.51	8.51	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	8.62	8.62	8.62	ChEMBL

Showing 1 to 12 of 12 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	4.93	4.93	4.93	ChEMBL
CCR1	CCR1	Human	Chemokine	A	pIC50	10.06	10.06	10.06	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pIC50	8.24	8.24	8.24	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	8.41	8.41	8.41	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL519240

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.