GPCRdb

DOXEPIN

Agent/drug
Bioactivity

DOXEPIN

SMILES	CN(C)CCC=C1c2ccccc2COc2ccccc21
InChIKey	ODQWQRRAPPTVAG-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	0
Rotatable bonds	3
Molecular weight (Da)	279.2

Database connections

ChEMBL_compound_ids PubChem DrugBank PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	7.37	7.37	7.37	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	7.48	7.48	7.48	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.24	7.24	7.24	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.30	6.30	6.30	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	7.50	7.50	7.50	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.82	6.82	6.82	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	6.06	6.06	6.06	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.96	7.96	7.96	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.25	7.25	7.25	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	7.62	7.62	7.62	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	6.83	6.91	6.98	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.46	6.46	6.46	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.33	6.33	6.33	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	9.60	9.84	10.18	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	5.74	5.74	5.74	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	7.75	7.75	7.75	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	7.04	7.04	7.04	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	7.82	7.82	7.82	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	8.23	8.23	8.23	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	7.72	7.72	7.72	ChEMBL

Showing 1 to 20 of 20 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	6.97	8.98	11.00	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pIC50	7.22	7.22	7.22	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pIC50	6.93	6.93	6.93	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.88	5.88	5.88	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pIC50	7.15	7.15	7.15	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pIC50	5.99	5.99	5.99	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	5.82	5.82	5.82	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	7.42	7.42	7.42	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	7.05	7.05	7.05	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	7.34	7.34	7.34	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pIC50	6.50	6.50	6.50	ChEMBL
D₁	DRD1	Human	Dopamine	A	pIC50	6.16	6.16	6.16	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	5.86	5.86	5.86	ChEMBL
H₁	HRH1	Human	Histamine	A	pIC50	9.24	9.24	9.24	ChEMBL
H₂	HRH2	Human	Histamine	A	pIC50	5.73	5.73	5.73	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	7.11	7.11	7.11	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	6.59	6.59	6.59	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pIC50	7.16	7.16	7.16	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pIC50	7.38	7.38	7.38	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pIC50	7.58	7.58	7.58	ChEMBL

Showing 1 to 20 of 20 entries

DOXEPIN

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 6

Phase III 4

Approved Yes

Database connections

ChEMBL_compound_ids PubChem DrugBank PubChem GPCRdb

Sankey plot

Drug Information

Search:

Target					Disease				Phase

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

HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Alcohol dependence, unspecified	6C40.2Z		0.103	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Anxiety	MB24.3		0.545	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Atopic eczema, unspecified	EA80.Z		0.474	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Bipolar type I disorder, unspecified	6A60.Z		0.003	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Depressive disorders, unspecified	6A7Z		0.478	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Dermatitis or eczema, unspecified	EA8Z		0.375	2	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Insomnia disorders, unspecified	7A0Z		0.579	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Irritable bowel syndrome, type unspecified	DD91.0Z		0.494	2	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Oral mucositis	DA01.11		0.259	3	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Pruritus, unspecified	EC90.Z		0.602	4	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Sleep-wake disorders, unspecified	7B2Z		0.050	2	Yes
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	Class A	Urticaria of unspecified type	EB05		0.606	3	Yes
HRH2	H₂ receptor	Histamine receptors	Aminergic receptors	Class A	Anxiety	MB24.3		0.008	4	Yes
HRH2	H₂ receptor	Histamine receptors	Aminergic receptors	Class A	Atopic eczema, unspecified	EA80.Z		0.259	4	Yes
HRH2	H₂ receptor	Histamine receptors	Aminergic receptors	Class A	Dermatitis or eczema, unspecified	EA8Z		0.002	2	Yes
HRH2	H₂ receptor	Histamine receptors	Aminergic receptors	Class A	Pruritus, unspecified	EC90.Z		0.001	4	Yes
HRH2	H₂ receptor	Histamine receptors	Aminergic receptors	Class A	Urticaria of unspecified type	EB05		0.008	3	Yes

Showing 1 to 17 of 17 entries

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Main reference

DOXEPIN

DOXEPIN

Chemical Properties

Database connections

Bioactivities

DOXEPIN

Drug properties

Clinical Trials

Database connections

Sankey plot

Drug Information