promethazine
| SMILES | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C |
| InChIKey | PWWVAXIEGOYWEE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 284.1 |
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 |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.62 | 9.62 | 9.62 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.98 | 8.98 | 8.98 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.38 | 8.38 | 8.38 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.77 | 6.77 | 6.77 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 8.4 | 8.49 | 8.54 | PDSP Ki database |
| H4 | HRH4 | Human | Histamine | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.75 | 5.75 | 5.75 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 7.74 | 9.62 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.49 | 8.49 | 8.49 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.41 | 7.41 | 7.41 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.74 | 6.74 | 6.74 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.34 | 8.34 | 8.34 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.12 | 8.12 | 8.12 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.27 | 8.4 | 8.54 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.56 | 5.56 | 5.56 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.17 | 7.17 | 7.17 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.17 | 7.4 | 7.64 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.11 | 6.55 | 7.0 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |