Compound Detail
CHEMBL1762470
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 | CHEMBL1762470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGBKVMPEZANYQB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
282.2
MW (Da)
4.07
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human recombinant iNOS | 21398123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Nitric oxide synthase, inducible | 2 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Unchecked | 1 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Nitric oxide sythases; iNOS & nNOS | 1 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Sodium-dependent noradrenaline transporter | 1 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Sodium-dependent serotonin transporter | 1 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Cytochrome P450 2D6 | 1 |
| 21398123 | 10.1016/j.bmcl.2011.02.061 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine