diphenhydramine
| SMILES | CN(CCOC(c1ccccc1)c1ccccc1)C |
| InChIKey | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 255.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | TAS2R40 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 7.93 | 7.93 | 7.93 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 4.37 | 4.67 | 4.96 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.7 | 7.77 | 7.83 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 7.49 | 8.21 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 7.77 | 7.77 | 7.77 | PDSP Ki database |
| H3 | HRH3 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.92 | 6.92 | 6.92 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.64 | 6.64 | 6.64 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.95 | 6.95 | 6.95 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.86 | 7.97 | 8.04 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.36 | 8.36 | 8.36 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Guinea pig | Histamine | A | pIC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.6 | 6.15 | 6.7 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pIC50 | 4.96 | 4.96 | 4.96 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.79 | 6.79 | 6.79 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 4.08 | 4.98 | 6.77 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.95 | 5.95 | 5.95 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.98 | 5.98 | 5.98 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pIC50 | 8.05 | 8.05 | 8.05 | Drug Central |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |