Compound Detail
CHEMBL1762471
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Basic Information
| ChEMBL ID | CHEMBL1762471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJFDPLITEKQPEB-WMQZXYHMSA-N |
| Parent Compound | CHEMBL1789177 |
| Active Moiety | CHEMBL1789177 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
310.2
MW (Da)
4.72
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 7.66 | 6.36 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant iNOS | 21398123 |
| Nitric oxide synthase, inducible | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide productio... | 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 |
Data from ChEMBL 36 via Core Engine