DESIPRAMINE


SMILES CNCCCN1c2ccccc2CCc2ccccc21
InChIKey HCYAFALTSJYZDH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 266.2

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
H1 HRH1 Rat Histamine A pKi 6.06 6.54 6.91 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 6.78 7.51 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.06 5.19 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.46 5.63 5.81 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.32 5.64 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.92 6.98 7.11 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.26 5.26 5.26 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.13 6.37 6.61 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 6.6 7.05 7.51 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.96 6.96 6.96 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.27 6.27 6.27 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.68 6.68 6.68 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.8 6.8 6.8 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.84 6.84 6.84 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.97 6.97 6.97 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 7.64 7.64 7.64 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.86 5.86 5.86 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.17 8.17 8.17 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.17 8.17 8.17 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
D1 DRD1 Human Dopamine A pKi 8.28 8.28 8.28 Drug Central
D2 DRD2 Human Dopamine A pKi 8.25 8.25 8.25 Drug Central
H1 HRH1 Human Histamine A pKi 8.15 8.15 8.15 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 9.1 9.1 9.1 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.89 8.24 9.6 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.55 6.03 6.5 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 8.19 8.19 8.19 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 8.19 8.19 8.19 Drug Central
H1 HRH1 Rat Histamine A pIC50 8.04 8.04 8.04 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.02 8.02 8.02 Drug Central