GPCRdb

aripiprazole

Agent/drug
Bioactivity

aripiprazole

SMILES	O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
InChIKey	CEUORZQYGODEFX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	447.1

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	7E2Z 7VOE
Ligand site mutations	5-HT_2A D₂ D₄

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	7.00	7.54	8.05	ChEMBL
α_1A	ADA1A	Human	Adrenoceptors	A	pKi	8.14	8.14	8.14	Drug Central
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	7.46	7.46	7.47	PDSP Ki database
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.13	8.13	8.13	Drug Central
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	7.00	7.00	7.00	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.59	7.59	7.60	PDSP Ki database
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	7.00	7.00	7.00	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	7.13	7.13	7.13	PDSP Ki database
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.15	8.15	8.15	Drug Central
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.99	6.99	6.99	PDSP Ki database
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	8.16	8.16	8.16	Drug Central
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.00	6.00	6.00	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.00	7.21	7.42	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.42	7.42	7.43	PDSP Ki database
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.13	8.13	8.13	Drug Central
β₁	ADRB1	Human	Adrenoceptors	A	pKi	6.85	6.85	6.85	PDSP Ki database
β₁	ADRB1	Human	Adrenoceptors	A	pKi	8.16	8.16	8.16	Drug Central
β₂	ADRB2	Human	Adrenoceptors	A	pKi	6.79	6.79	6.79	PDSP Ki database
β₂	ADRB2	Human	Adrenoceptors	A	pKi	8.17	8.17	8.17	Drug Central
δ	OPRD	Human	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database

Showing 1 to 20 of 122 entries

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Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pIC50	6.77	6.77	6.77	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	8.47	8.47	8.47	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	6.35	6.84	7.62	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	5.55	5.75	5.96	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	5.86	5.86	5.86	ChEMBL
5-HT_2C	5HT2C	Rat	5-Hydroxytryptamine	A	pIC50	8.12	8.12	8.12	Drug Central
5-HT_2C	5HT2C	Rat	5-Hydroxytryptamine	A	pIC50	7.59	7.59	7.59	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	7.42	7.42	7.42	Guide to Pharmacology
D₂	DRD2	Human	Dopamine	A	pIC50	7.42	7.96	9.00	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	5.96	7.59	9.00	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.70	7.71	7.71	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.09	7.09	7.09	ChEMBL
D₃	DRD3	Rat	Dopamine	A	pIC50	8.13	8.13	8.13	Drug Central
D₃	DRD3	Rat	Dopamine	A	pIC50	7.42	7.42	7.42	ChEMBL
D₄	DRD4	Human	Dopamine	A	pIC50	5.93	5.93	5.93	ChEMBL
H₁	HRH1	Human	Histamine	A	pIC50	6.38	6.38	6.38	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	4.90	4.90	4.90	ChEMBL

Showing 1 to 17 of 17 entries

aripiprazole

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 0

Phase II 15

Phase III 19

Phase IV 31

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	7E2Z 7VOE
Ligand site mutations	5-HT_2A D₂ D₄

Sankey plot

Drug Information

Search:

Target					Disease

Gene	Protein	Receptor family	Ligand type	Class	Name	Phase	ICD11	ATC	Association score

5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Aggressive behaviour	4	MB23.0	N05A	0.370
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Alcohol dependence, unspecified	3	6C40.2Z	N05A	0.456
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Alzheimer disease	3	8A20	N05A	0.402
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Anorexia Nervosa, unspecified	3	6B80.Z	N05A	0.266
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Attention deficit hyperactivity disorder, presentation unspecified	2	6A05.Z	N05A	0.503
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Autism spectrum disorder without disorder of intellectual development and with mild or no impairment of functional language	2	6A02.0	N05A	0.101
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Autism spectrum disorder, unspecified	4	6A02.Z	N05A	0.451
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Bipolar type I disorder, unspecified	4	6A60.Z	N05A	0.591
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Cocaine dependence, unspecified	2	6C45.2Z	N05A	0.107
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Dementia, unknown or unspecified cause	3	6D8Z	N05A	0.368
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Depressive disorders, unspecified	4	6A7Z	N05A	0.596
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Fragile X chromosome	2	LD55	N05A	0.102
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Mental or behavioural disorders associated with pregnancy, childbirth or the puerperium, without psychotic symptoms	3	6E20	N05A	0.261
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Obsessive-compulsive disorder, unspecified	2	6B20.Z	N05A	0.112
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Post traumatic stress disorder	3	6B40	N05A	0.554
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Restlessness	4	MB24.F	N05A	0.575
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Schizoaffective disorder, unspecified	4	6A21.Z	N05A	0.590
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Schizophrenia, episode unspecified	4	6A20.Z	N05A	0.622
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Single episode depressive disorder, severe, without psychotic symptoms	4	6A70.3	N05A	0.634
5HT1A	5-HT_1A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	A	Tourette syndrome	4	8A05.00	N05A	0.554

Showing 1 to 20 of 60 entries

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aripiprazole

aripiprazole

Chemical Properties

Database connections

Bioactivities

aripiprazole

Drug properties

Distribution across phases (no. indications)

Database connections

Sankey plot

Drug Information