Compound Detail
CHEMBL1186802
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Basic Information
| ChEMBL ID | CHEMBL1186802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBPMVSCCYQKGHL-QFBILLFUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.50
ALogP
5
HBA
4
HBD
75.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 210.0 | nM | 6.68 | Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were... | - |
| Nitric oxide synthase, inducible | Ki | = | 13600.0 | nM | 4.87 | Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were... | - |
Data from ChEMBL 36 via Core Engine