Compound Detail
CHEMBL4874305
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CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccccc5C(F)(F)F)s4)cnc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4874305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQZPSEBMVYGJRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
6.82
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of FLT3 (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrat... | 34479037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34479037 | 10.1016/j.ejmech.2021.113776 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Serine/threonine-protein kinase Nek2 | 1 |
Data from ChEMBL 36 via Core Engine