trihexyphenidyl
| SMILES | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 |
| InChIKey | HWHLPVGTWGOCJO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 301.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.87 | 8.87 | 8.87 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.91 | 8.38 | 9.43 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.31 | 7.54 | 8.15 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.89 | 7.56 | 8.61 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.57 | 8.24 | 9.08 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.17 | 7.42 | 8.3 | PDSP Ki database |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.86 | 7.86 | 7.86 | PDSP Ki database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.13 | 9.13 | 9.13 | PDSP Ki database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.53 | 8.53 | 8.53 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.87 | 8.87 | 8.87 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.92 | 7.96 | 7.99 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.17 | 8.21 | 8.26 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.58 | 7.7 | 7.82 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.47 | 7.6 | 7.73 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.25 | 8.57 | 8.89 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.05 | 8.05 | 8.05 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.11 | 8.11 | 8.11 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.12 | 8.12 | 8.12 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.1 | 8.1 | 8.1 | Drug Central |