Compound Detail
CHEMBL1099168
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Basic Information
| ChEMBL ID | CHEMBL1099168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXIIKDXCDODGRI-YFKPBYRVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
-0.66
ALogP
4
HBA
4
HBD
118.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.19
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition rat recombinant nNOS | 20441173 |
| Nitric oxide synthase, inducible | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of mouse recombinant iNOS | 20441173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20441173 | 10.1021/jm100306a | Arginase-1 | 2 |
| 20441173 | 10.1021/jm100306a | Nitric oxide synthase 1 | 1 |
| 20441173 | 10.1021/jm100306a | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine