Compound Detail
CHEMBL5852639
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Basic Information
| ChEMBL ID | CHEMBL5852639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOXRZSPIGKIBGC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.94
ALogP
4
HBA
2
HBD
54.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.2 | 5.2 | 6381.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.75 | 4.75 | 17870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 32.0 | nM | 7.5 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase, inducible | Ki | = | 6381.0 | nM | 5.2 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Unchecked | Ki | = | 17870.0 | nM | 4.75 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
Data from ChEMBL 36 via Core Engine