diphenidol
| SMILES | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 |
| InChIKey | OGAKLTJNUQRZJU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 309.2 |
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 |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.89 | 5.98 | 6.07 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.04 | 6.73 | 7.42 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.95 | 6.62 | 7.28 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.55 | 6.05 | 6.56 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.37 | 6.74 | 7.11 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.61 | 6.61 | 6.61 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.11 | 6.11 | 6.11 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.49 | 6.49 | 6.49 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |