Compound Detail
CHEMBL3736595
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3736595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAWVGIYSTBKHJQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.15
ALogP
4
HBA
3
HBD
63.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 7.29 | 7.29 | 51.0 | 1 |
| Nitric oxide synthase 1 CHEMBL4719 | Ki | 5.26 | 5.26 | 5440.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.21 | 5.21 | 6090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 33.0 | nM | 7.48 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 51.0 | nM | 7.29 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase 1 | Ki | = | 5440.0 | nM | 5.26 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
| Nitric oxide synthase, inducible | Ki | = | 6090.0 | nM | 5.21 | Enzyme Assay: Rat and human nNOS, murine macrophage iNOS, and human eNOS were re... | - |
Data from ChEMBL 36 via Core Engine