CHEMBL9751
| SMILES | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 |
| InChIKey | RKUNBYITZUJHSG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 289.2 |
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 |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.79 | 8.96 | 9.1 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.15 | 5.15 | 5.15 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.82 | 8.98 | 9.2 | PDSP Ki database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.0 | 9.36 | 9.68 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.96 | 9.5 | 10.0 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.77 | 9.29 | 9.68 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.8 | 5.99 | 6.24 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.96 | 9.29 | 9.7 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | PDSP Ki database |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.96 | 8.96 | 8.96 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.68 | 9.06 | 9.51 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 9.0 | 9.41 | 10.0 | PDSP Ki database |
| M4 | ACM4 | Chicken | Acetylcholine (muscarinic) | A | pKi | 9.15 | 9.15 | 9.15 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.74 | 5.74 | 5.74 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.31 | 8.31 | 8.31 | 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 | 8.03 | 8.03 | 8.03 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| M2 | ACM2 | Mouse | Acetylcholine (muscarinic) | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.49 | 8.49 | 8.49 | ChEMBL |