Compound Detail
CHEMBL3290634
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CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3scc(-c4ccc(OCCN5CCCCC5)cc4)c23)C1=O.Cl
Basic Information
| ChEMBL ID | CHEMBL3290634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBFPUILCIXXHJL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3304677 |
| Active Moiety | CHEMBL3304677 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
5.59
ALogP
9
HBA
1
HBD
87.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.78 | 5.725 | 1680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of FLT3 kinase (unknown origin) | 24813730 |
| RAW264.7 | IC50 | = | 1680.0 | nM | 5.78 | Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ... | 24813730 |
| RAW264.7 | IC50 | = | 2140.0 | nM | 5.67 | 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