Compound Detail
CHEMBL5844585
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Basic Information
| ChEMBL ID | CHEMBL5844585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKYCUWKYSZUTFJ-GFCCVEGCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.07
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Nitric oxide synthase 1 CHEMBL4719 | Ki | 5.13 | 5.13 | 7350.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 61.0 | nM | 7.21 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 65.0 | nM | 7.19 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 7350.0 | nM | 5.13 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase, inducible | Ki | = | 16100.0 | nM | 4.79 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
Data from ChEMBL 36 via Core Engine