Compound Detail
CHEMBL3290629
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Basic Information
| ChEMBL ID | CHEMBL3290629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCHZECGQNUJEFD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.43
ALogP
8
HBA
2
HBD
95.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.31 | 6.31 | 488.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.91 | 5.74 | 1230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 488.0 | nM | 6.31 | Inhibition of FLT3 kinase (unknown origin) | 24813730 |
| RAW264.7 | IC50 | = | 1230.0 | nM | 5.91 | Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ... | 24813730 |
| RAW264.7 | IC50 | = | 2670.0 | nM | 5.57 | Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ... | 24813730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813730 | 10.1016/j.bmcl.2014.04.058 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2 |
| 24813730 | 10.1016/j.bmcl.2014.04.058 | RAW264.7 | 2 |
| 24813730 | 10.1016/j.bmcl.2014.04.058 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine