Compound Detail
CHEMBL2414847
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Basic Information
| ChEMBL ID | CHEMBL2414847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIRSYJSBUZPLQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
1.59
ALogP
3
HBA
2
HBD
38.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3051 | IC50 | 4.16 | 4.16 | 70030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 70030.0 | nM | 4.16 | Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RI... | 23810674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23810674 | 10.1016/j.bmc.2013.05.064 | Nitric oxide synthase, inducible | 2 |
| 23810674 | 10.1016/j.bmc.2013.05.064 | No relevant target | 1 |
| 23810674 | 10.1016/j.bmc.2013.05.064 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine