Compound Detail
CHEMBL6014794
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Basic Information
| ChEMBL ID | CHEMBL6014794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHEFUZQOBGFTOR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.06
ALogP
5
HBA
2
HBD
78.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.4 | 4.4 | 39944.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 4.35 | 4.35 | 45110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 125.0 | nM | 6.9 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Unchecked | Ki | = | 39944.0 | nM | 4.4 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase, inducible | Ki | = | 45110.0 | nM | 4.35 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
Data from ChEMBL 36 via Core Engine