Compound Detail
CHEMBL493265
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CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL493265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEFKYTFPJRTGKU-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.42
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Kd | 10.3 | 10.3 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 0.05012 | nM | 10.3 | Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells asse... | 18798607 |
| Muscarinic acetylcholine receptor M1 | Kd | = | 2.512 | nM | 8.6 | Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells asse... | 18798607 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 100.0 | nM | 7.0 | Antagonist activity at cloned muscarinic M2 receptor-Gqi5 chimeric protein expre... | 18798607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18798607 | 10.1021/jm800935u | Mus musculus | 2 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M3 | 1 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M1 | 1 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M2 | 1 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M1 and M3 | 1 |
Data from ChEMBL 36 via Core Engine