CHEMBL522460
| SMILES | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 |
| InChIKey | CWPKTBMRVATCBL-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 404.3 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | M1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.31 | 6.31 | 6.31 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.31 | 5.31 | 5.31 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.63 | 5.63 | 5.64 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.54 | 6.89 | 8.19 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.29 | 5.44 | 5.58 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |