Compound Detail
CHEMBL3589087
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Basic Information
| ChEMBL ID | CHEMBL3589087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQXHFWCIGXJMAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.25
ALogP
3
HBA
4
HBD
102.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 6.37 | 6.37 | 428.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.37 | 6.37 | 428.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 428.0 | nM | 6.37 | Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as ... | 26101565 |
| Nitric oxide synthase, inducible | IC50 | = | 428.0 | nM | 6.37 | Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escheric... | 32676156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26101565 | 10.1021/acsmedchemlett.5b00149 | Rattus norvegicus | 9 |
| 26101565 | 10.1021/acsmedchemlett.5b00149 | Nitric oxide synthase, inducible | 1 |
| 26101565 | 10.1021/acsmedchemlett.5b00149 | Nitric oxide synthase 3 | 1 |
| 26101565 | 10.1021/acsmedchemlett.5b00149 | Unchecked | 1 |
| 32676156 | 10.1021/acsmedchemlett.0c00285 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine