GPCRdb

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Agent/drug
Bioactivity

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SMILES	O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
InChIKey	PHLBKPHSAVXXEF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	371.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb

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Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	7.33	7.33	7.33	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	7.21	7.21	7.21	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	8.14	8.14	8.14	Drug Central
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.89	6.89	6.89	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.82	6.82	6.82	PDSP Ki database
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	8.14	8.14	8.14	Drug Central
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.47	6.47	6.47	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.18	8.18	8.18	Drug Central
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.14	6.14	6.14	PDSP Ki database
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.75	6.75	6.75	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	8.17	8.17	8.17	Drug Central
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.55	6.55	6.55	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.81	6.81	6.81	PDSP Ki database
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.17	8.17	8.17	Drug Central
β₁	ADRB1	Human	Adrenoceptors	A	pKi	5.00	5.00	5.00	PDSP Ki database
β₂	ADRB2	Human	Adrenoceptors	A	pKi	5.00	5.00	5.00	PDSP Ki database
δ	OPRD	Human	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database
κ	OPRK	Rat	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database
μ	OPRM	Human	Opioid	A	pKi	5.00	5.00	5.00	PDSP Ki database
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.65	6.70	6.75	ChEMBL

Showing 1 to 20 of 76 entries

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Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	6.93	6.93	6.93	ChEMBL
α_1A	ADA1A	Human	Adrenoceptors	A	pIC50	8.02	8.02	8.02	Drug Central
α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	8.16	8.16	8.16	Drug Central
α_1B	ADA1B	Rat	Adrenoceptors	A	pIC50	6.96	6.96	6.96	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pIC50	6.58	6.58	6.58	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	6.04	6.04	6.04	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pIC50	6.41	6.41	6.41	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pIC50	5.71	5.71	5.71	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	6.51	6.51	6.51	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	6.11	6.11	6.11	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	5.87	5.87	5.87	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	6.61	7.16	7.70	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	6.97	6.97	6.97	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	7.04	7.04	7.04	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	5.35	5.35	5.35	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	5.43	5.43	5.43	ChEMBL
H₁	HRH1	Human	Histamine	A	pIC50	6.44	6.44	6.44	ChEMBL
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	Potency	4.65	4.65	4.65	ChEMBL

Showing 1 to 18 of 18 entries

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Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 6

Phase II 6

Phase III 9

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb

Sankey plot

Drug Information

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Target					Disease				Phase

Gene	Protein	Receptor family	Ligand type	Class	Indication name	ICD11	ATC	Association score	Phase	Approved

5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Amyotrophic lateral sclerosis	8B60.0	N06A	0.108	2	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Anxiety	MB24.3	N06A	0.575	3	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Depressive disorders, unspecified	6A7Z	N06A	0.607	4	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Diabetic polyneuropathy	8C03.0	N06A	0.094	2	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Insomnia disorders, unspecified	7A0Z	N06A	0.564	3	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Mental or behavioural disorders associated with pregnancy, childbirth or the puerperium, without psychotic symptoms	6E20	N06A	0.285	1	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Obstructive sleep apnoea	7A41	N06A	0.050	1	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Restlessness	MB24.F	N06A	0.602	3	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Single episode depressive disorder, severe, without psychotic symptoms	6A70.3	N06A	0.632	4	Yes
5HT2A	5-HT_2A receptor	5-Hydroxytryptamine receptors	Aminergic receptors	Class A	Sleep-wake disorders, unspecified	7B2Z	N06A	0.395	4	Yes
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	Class A	Anxiety	MB24.3	N06A	0.330	3	Yes
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	Class A	Depressive disorders, unspecified	6A7Z	N06A	0.418	4	Yes
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	Class A	Insomnia disorders, unspecified	7A0Z	N06A	0.001	3	Yes
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	Class A	Obstructive sleep apnoea	7A41	N06A	0.020	1	Yes
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	Class A	Single episode depressive disorder, severe, without psychotic symptoms	6A70.3	N06A	0.004	4	Yes
ADA1D	α_1D-adrenoceptor	Adrenoceptors	Aminergic receptors	Class A	Sleep-wake disorders, unspecified	7B2Z	N06A	0.001	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Anxiety	MB24.3	N06A	0.545	3	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Depressive disorders, unspecified	6A7Z	N06A	0.478	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Diabetic polyneuropathy	8C03.0	N06A	0.092	2	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Insomnia disorders, unspecified	7A0Z	N06A	0.579	3	Yes

Showing 1 to 20 of 22 entries

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Chemical Properties

Database connections

Bioactivities

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Drug properties

Clinical Trials

Database connections

Sankey plot

Drug Information