Compound Detail
CHEMBL1762482
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Basic Information
| ChEMBL ID | CHEMBL1762482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHDJYTUZWBABGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
198.3
MW (Da)
3.00
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human recombinant iNOS | 21398123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Nitric oxide synthase, inducible | 1 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine