Compound Detail
CHEMBL313228
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Basic Information
| ChEMBL ID | CHEMBL313228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URNXGQJFPYGXFA-QMMMGPOBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
-1.87
ALogP
6
HBA
5
HBD
157.6
PSA (Ų)
0.10
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.34 | 6.34 | 460.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | Ki | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 290.0 | nM | 6.54 | Inhibitory activity against recombinant rat nNOS. | 11472219 |
| Unchecked | Ki | = | 460.0 | nM | 6.34 | Inhibitory activity against neuronal nitric oxide synthase | 14667223 |
| Nitric oxide synthase, inducible | Ki | = | 73000.0 | nM | 4.14 | Inhibitory activity against recombinant murine iNOS. | 11472219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667223 | 10.1021/jm030301u | Unchecked | 4 |
| 11472219 | 10.1021/jm0101491 | Nitric oxide synthase 1 | 1 |
| 11472219 | 10.1021/jm0101491 | Nitric oxide synthase, inducible | 1 |
| 11472219 | 10.1021/jm0101491 | Nitric oxide synthase 3 | 1 |
| 11472219 | 10.1021/jm0101491 | Nitric-oxide synthase (endothelial and brain) | 1 |
| 11472219 | 10.1021/jm0101491 | Nitric oxide sythases; iNOS & nNOS | 1 |
| 14667223 | 10.1021/jm030301u | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine