imipramine
| SMILES | CN(CCCN1c2ccccc2CCc2c1cccc2)C |
| InChIKey | BCGWQEUPMDMJNV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 280.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Mouse | Dopamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.92 | 7.03 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 6.68 | 6.7 | 6.72 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.06 | 8.47 | 9.89 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.06 | 7.43 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.95 | 7.03 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.38 | 7.38 | 7.38 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.92 | 6.92 | 6.92 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.12 | 5.24 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.22 | 7.22 | 7.22 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.95 | 6.95 | 6.95 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.08 | 7.08 | 7.08 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.49 | 7.49 | 7.49 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.14 | 6.17 | 6.21 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.41 | 6.41 | 6.41 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 7.12 | 7.96 | PDSP Ki database |
| D2 | DRD2 | Mouse | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.8 | 7.8 | 7.8 | PDSP Ki database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 6.74 | 6.74 | 6.74 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 7.51 | 7.85 | 8.7 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.52 | 5.52 | 5.52 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.03 | 6.08 | 6.14 | PDSP Ki database |
| 5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
| 5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 6.0 | 6.22 | 6.45 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.13 | 8.13 | 8.13 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.12 | 8.12 | 8.12 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.77 | 8.77 | 8.77 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.06 | 8.06 | 8.06 | Drug Central |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 10.22 | 10.22 | 10.22 | ChEMBL |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 7.99 | 7.99 | 7.99 | Drug Central |