Compound Detail
CHEMBL5200813
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Cl.O=C1Nc2ccc(OC(F)(F)F)cc2/C1=C1/Nc2ccccc2/C1=N\OCC(=O)N1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL5200813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORCTZCRRKNIFON-YEUVAOSHSA-N |
| Parent Compound | CHEMBL5222505 |
| Active Moiety | CHEMBL5222505 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.4
MW (Da)
2.53
ALogP
7
HBA
3
HBD
104.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.79 | 8.615 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.62 | nM | 8.79 | Inhibition of human recombinant His-tagged FLT3/D835Y mutant expressed in baculo... | 35489222 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 3.65 | nM | 8.44 | Inhibition of human recombinant His-tagged FLT3 kinase domain (564 to 958 residu... | 35489222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35489222 | 10.1016/j.ejmech.2022.114356 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | MOLM-14 | 2 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine