Compound Detail
CHEMBL448703
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Basic Information
| ChEMBL ID | CHEMBL448703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXSWEEJYFGUAON-QRPNPIFTSA-N |
| Parent Compound | CHEMBL1186081 |
| Active Moiety | CHEMBL1186081 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
2.33
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 450.0 | nM | 6.35 | Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as convers... | 19203270 |
| Nitric oxide synthase, inducible | IC50 | = | 450.0 | nM | 6.35 | Inhibition of mouse macrophage iNOS assessed as nitric oxide mediated oxidation ... | 20933416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Unchecked | 3 |
| 19203270 | 10.1021/jm800846u | Nitric oxide synthase, inducible | 1 |
| 19203270 | 10.1021/jm800846u | Nitric oxide synthase 3 | 1 |
| 19203270 | 10.1021/jm800846u | Unchecked | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase 3 | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase 1 | 1 |
| 20933416 | 10.1016/j.bmcl.2010.09.059 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine