Compound Detail
CHEMBL317028
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Basic Information
| ChEMBL ID | CHEMBL317028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLXIFDPXSXIPCZ-UHNVWZDZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
-0.83
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 25000.0 | nM | 4.6 | Compound was evaluated for inhibitory activity against iNOS obtained from RAW 26... | 9873655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873655 | 10.1016/s0960-894x(98)00532-0 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine