CYCLOBENZAPRINE
| SMILES | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 |
| InChIKey | JURKNVYFZMSNLP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 1 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 275.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 6.95 | 7.22 | 7.5 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.16 | 8.16 | 8.16 | Drug Central |