clomipramine
| SMILES | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C |
| InChIKey | GDLIGKIOYRNHDA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 314.2 |
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 |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.01 | 8.01 | 8.01 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.94 | 6.95 | 6.95 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.82 | 7.93 | 8.01 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.66 | 6.66 | 6.66 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.79 | 6.95 | 7.11 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.3 | 7.41 | 7.52 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.47 | 7.66 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.27 | 7.27 | 7.27 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.45 | 7.45 | 7.45 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.19 | 7.19 | 7.19 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.49 | 8.49 | 8.49 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.0 | 8.7 | 10.4 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.85 | 6.42 | 7.0 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 7.07 | 7.07 | 7.07 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.95 | 5.95 | 5.95 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.61 | 6.61 | 6.61 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.47 | 7.47 | 7.47 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.86 | 6.86 | 6.86 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.17 | 7.17 | 7.17 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.98 | 7.98 | 7.98 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.01 | 8.01 | 8.01 | Drug Central |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.1 | 5.83 | 6.2 | ChEMBL |