Compound Detail
CHEMBL436814
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Basic Information
| ChEMBL ID | CHEMBL436814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJILNSLXXDENGI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
2.43
ALogP
5
HBA
0
HBD
49.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Ki 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of PDE4 in U937 cells | 17398090 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 631.0 | nM | 6.2 | Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic rec... | 17398090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17398090 | 10.1016/j.bmcl.2007.03.047 | No relevant target | 1 |
| 17398090 | 10.1016/j.bmcl.2007.03.047 | Phosphodiesterase 4 | 1 |
| 17398090 | 10.1016/j.bmcl.2007.03.047 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine