Compound Detail
CHEMBL3736588
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Basic Information
| ChEMBL ID | CHEMBL3736588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJTDCQJZJFACPC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.79
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 7.68 | 7.595 | 21.0 | 2 |
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.51 | 7.305 | 31.0 | 2 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.29 | 5.29 | 5150.0 | 1 |
| Nitric oxide synthase 1 CHEMBL4719 | Ki | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 21.0 | nM | 7.68 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 31.0 | nM | 7.51 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 31.0 | nM | 7.51 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 79.0 | nM | 7.1 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase, inducible | Ki | = | 5150.0 | nM | 5.29 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 16800.0 | nM | 4.78 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
Data from ChEMBL 36 via Core Engine