oxybutynin
| SMILES | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC |
| InChIKey | XIQVNETUBQGFHX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 357.2 |
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 |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.9 | 7.96 | 8.1 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.4 | 8.55 | 8.7 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.85 | 8.0 | 8.16 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.85 | 8.24 | 8.63 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.44 | 9.0 | 9.56 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.82 | 9.02 | 9.24 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 7.4 | 7.4 | 7.4 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.8 | 7.96 | 8.09 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.62 | 8.9 | 9.07 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.28 | 8.65 | 9.02 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.49 | 8.49 | 8.49 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.57 | 8.57 | 8.57 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.45 | 8.45 | 8.45 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.37 | 6.37 | 6.37 | ChEMBL |