Compound Detail
CHEMBL1187747
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Basic Information
| ChEMBL ID | CHEMBL1187747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOOHDCHGOXCPHM-AZUAARDMSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
1.52
ALogP
5
HBA
4
HBD
75.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | Ki | 4.11 | 4.11 | 78450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 24.0 | nM | 7.62 | Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were... | - |
| Nitric oxide synthase, inducible | Ki | = | 5400.0 | nM | 5.27 | Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were... | - |
| Nitric oxide synthase 3 | Ki | = | 78450.0 | nM | 4.11 | Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were... | - |
| Nitric oxide synthase 3 | Ki | = | 78450.0 | nM | 4.11 | Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were... | - |
Data from ChEMBL 36 via Core Engine