Compound Detail
CHEMBL4102022
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Basic Information
| ChEMBL ID | CHEMBL4102022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEZZFZPCRXMVFC-HBPAQXCTSA-N |
| Parent Compound | CHEMBL4117114 |
| Active Moiety | CHEMBL4117114 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
2.50
ALogP
4
HBA
4
HBD
89.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 7.41 | 7.41 | 39.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 39.2 | nM | 7.41 | Antiproliferative activity against human MV4-11 cells harboring FLT3 ITD mutant ... | 28038328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28038328 | 10.1016/j.ejmech.2016.12.038 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine