Compound Detail
CHEMBL3360927
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Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(-c4cnn(C)c4)nc3)c3cc(F)cc(F)c23)no1
Basic Information
| ChEMBL ID | CHEMBL3360927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFTTZIYKSSSEPV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
3.47
ALogP
9
HBA
1
HBD
124.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 6.51 | 6.29 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 310.0 | nM | 6.51 | Positive allosteric modulation of M1 AchR (unknown origin) | 30106578 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 845.0 | nM | 6.07 | Positive allosteric modulator activity at human muscarinic receptor subtype 1 ex... | 25435150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25435150 | 10.1016/j.bmcl.2014.11.011 | Muscarinic acetylcholine receptor M1 | 1 |
| 30106578 | 10.1021/acs.jmedchem.8b00875 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine