Compound Detail
CHEMBL1924029
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Basic Information
| ChEMBL ID | CHEMBL1924029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBMILMUSFPMBSW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
3.17
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.6
Kd 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 10.4 | 10.4 | 0.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 9.6 | 9.6 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.03981 | nM | 10.4 | Antagonist potency at M3 receptor in Dunkin Hartley guinea pig trachea assessed ... | 22047691 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 0.2512 | nM | 9.6 | Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 c... | 22047691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Unchecked | 1 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Muscarinic acetylcholine receptor M3 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine