Compound Detail
CHEMBL3814908
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CN(C)CCCn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(-c4cn[nH]c4)ccc23)cn1
Basic Information
| ChEMBL ID | CHEMBL3814908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCZHYESWIUVUOV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.58
ALogP
5
HBA
2
HBD
82.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.22 | 7.985 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells... | 27190596 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of FLT3 ITD mutant (unknown origin) transduced in mouse Ba/F3 cells a... | 27190596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27190596 | 10.1021/acsmedchemlett.5b00498 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
Data from ChEMBL 36 via Core Engine