GPCRdb

astemizole

Agent/drug
Bioactivity

astemizole

SMILES	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
InChIKey	GXDALQBWZGODGZ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	458.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central GPCRdb
Structure pdb	8X5Y

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	8.00	8.00	8.00	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	7.02	7.02	7.02	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	8.15	8.15	8.15	Drug Central
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.42	6.42	6.42	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	8.10	8.10	8.10	Drug Central
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	5.74	5.74	5.74	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.24	8.24	8.24	Drug Central
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	5.76	5.76	5.76	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	8.24	8.24	8.24	Drug Central
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.54	6.54	6.54	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.18	8.18	8.18	Drug Central
β₁	ADRB1	Human	Adrenoceptors	A	pKi	5.00	5.00	5.00	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pKi	8.30	8.30	8.30	Drug Central
β₃	ADRB3	Human	Adrenoceptors	A	pKi	5.22	5.22	5.22	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pKi	8.28	8.28	8.28	Drug Central
δ	OPRD	Human	Opioid	A	pKi	5.34	5.34	5.34	ChEMBL
δ	OPRD	Human	Opioid	A	pKi	8.27	8.27	8.27	Drug Central
κ	OPRK	Human	Opioid	A	pKi	5.58	5.58	5.58	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	8.25	8.25	8.25	Drug Central
μ	OPRM	Human	Opioid	A	pKi	6.22	6.22	6.22	ChEMBL

Showing 1 to 20 of 77 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	7.62	7.62	7.62	ChEMBL
α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	8.12	8.12	8.12	Drug Central
α_1B	ADA1B	Rat	Adrenoceptors	A	pIC50	6.76	6.76	6.76	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pIC50	6.11	6.11	6.11	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.32	5.32	5.32	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pIC50	5.42	5.42	5.42	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pIC50	5.71	5.71	5.71	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pIC50	4.76	4.76	4.76	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pIC50	5.09	5.09	5.09	ChEMBL
δ	OPRD	Human	Opioid	A	pIC50	4.89	4.89	4.89	ChEMBL
κ	OPRK	Human	Opioid	A	pIC50	5.18	5.18	5.18	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	5.83	5.83	5.83	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	6.12	6.12	6.12	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	8.21	8.21	8.21	Drug Central
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	5.86	5.86	5.86	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	7.70	7.70	7.70	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	7.92	7.92	7.92	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	6.75	6.75	6.75	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pIC50	5.49	5.49	5.49	ChEMBL
A₃	AA3R	Human	Adenosine	A	pIC50	4.54	4.54	4.54	ChEMBL

Showing 1 to 20 of 37 entries

astemizole

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central GPCRdb
Structure pdb	8X5Y

Compound is not listed as a drug.