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

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.37 7.37 7.37 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.5 7.5 7.5 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.72 7.72 7.72 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.82 6.82 6.82 ChEMBL
H2 HRH2 Human Histamine A pKi 5.74 5.74 5.74 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 ChEMBL
H1 HRH1 Human Histamine A pKi 9.6 9.84 10.18 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.82 7.82 7.82 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.3 6.3 6.3 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.46 6.46 6.46 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.83 6.91 6.98 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.25 7.25 7.25 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.04 7.04 7.04 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.62 7.62 7.62 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.75 7.75 7.75 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.33 6.33 6.33 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.96 7.96 7.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 7.22 7.22 7.22 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.97 8.98 11.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.93 6.93 6.93 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.15 7.15 7.15 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 7.58 7.58 7.58 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.99 5.99 5.99 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.73 5.73 5.73 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 7.38 7.38 7.38 ChEMBL
H1 HRH1 Human Histamine A pIC50 9.24 9.24 9.24 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 7.16 7.16 7.16 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.82 5.82 5.82 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.88 5.88 5.88 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.16 6.16 6.16 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.5 6.5 6.5 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.05 7.05 7.05 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.59 6.59 6.59 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.34 7.34 7.34 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 7.11 7.11 7.11 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.86 5.86 5.86 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.42 7.42 7.42 ChEMBL