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 | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | 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 | 6.99 | 7.11 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.26 | 5.26 | 5.26 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.46 | 5.63 | 5.81 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.06 | 5.19 | 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 |
| 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 |
| 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 |
| 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 |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | 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 |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | 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 |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.02 | 8.02 | 8.02 | Drug Central |