Compound Detail
CHEMBL3894873
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Basic Information
| ChEMBL ID | CHEMBL3894873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOYIQCDILLWFQP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
6.02
ALogP
5
HBA
5
HBD
83.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4802 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 5.0 | nM | 8.3 | Inhibition Assay: The compounds were evaluated for in vitro inhibition against t... | - |
| Nitric oxide synthase, inducible | Ki | = | 1700.0 | nM | 5.77 | Inhibition Assay: The compounds were evaluated for in vitro inhibition against t... | - |
| Nitric oxide synthase 3 | Ki | = | 2700.0 | nM | 5.57 | Inhibition Assay: The compounds were evaluated for in vitro inhibition against t... | - |
Data from ChEMBL 36 via Core Engine