Compound Detail
CHEMBL1083839
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Basic Information
| ChEMBL ID | CHEMBL1083839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQWSMYKOVFPRKG-JHQIBEBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.55
ALogP
5
HBA
3
HBD
83.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.47 | 5.47 | 3360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3360.0 | nM | 5.47 | Antiproliferative activity against human RS4:11 cells having FLT3-ITD mutation a... | 20153646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153646 | 10.1016/j.bmcl.2010.01.039 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 20153646 | 10.1016/j.bmcl.2010.01.039 | NON-PROTEIN TARGET | 1 |
| 20153646 | 10.1016/j.bmcl.2010.01.039 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine