Compound Detail
CHEMBL4437322
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Basic Information
| ChEMBL ID | CHEMBL4437322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVNZXRKXNRIVBK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.85
ALogP
6
HBA
3
HBD
91.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.2 | 7.2 | 63.6 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 6.49 | 6.49 | 323.6 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.47 | 6.47 | 335.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 5.34 | 5.34 | 4531.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 63.65 | nM | 7.2 | Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK peptide as substrate in p... | 31103903 |
| NT-3 growth factor receptor | IC50 | = | 323.6 | nM | 6.49 | Inhibition of TRKC (unknown origin) in presence of [gamma33P]ATP by radiometric ... | 35872544 |
| MV4-11 | IC50 | = | 335.0 | nM | 6.47 | Growth inhibition of human MV4-11 cells measured after 72 hrs by Celltiter-Glo a... | 31103903 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 4531.0 | nM | 5.34 | Inhibition of TRKB (unknown origin) in presence of [gamma33P]ATP by radiometric ... | 35872544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35872544 | 10.1016/j.ejmech.2022.114601 | Unchecked | 2 |
| 31103903 | 10.1016/j.ejmech.2019.05.021 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 31103903 | 10.1016/j.ejmech.2019.05.021 | MV4-11 | 1 |
| 35872544 | 10.1016/j.ejmech.2022.114601 | High affinity nerve growth factor receptor | 1 |
| 35872544 | 10.1016/j.ejmech.2022.114601 | BDNF/NT-3 growth factors receptor | 1 |
| 35872544 | 10.1016/j.ejmech.2022.114601 | NT-3 growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine