Compound Detail
CHEMBL5639279
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N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccc(-c6ccoc6)cc5[nH]4)c3c2)C1
Basic Information
| ChEMBL ID | CHEMBL5639279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYNPVDYEHXTYCX-IRXDYDNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.98
ALogP
5
HBA
4
HBD
125.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.199 | nM | 9.7 | Inhibition of recombinant FLT3 D835Y mutant (unknown origin) using peptide subst... | 37866334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37866334 | 10.1016/j.ejmech.2023.115860 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Unchecked | 2 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | BaF3 | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Tyrosine-protein kinase JAK2 | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Tyrosine-protein kinase receptor TYRO3 | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Tyrosine-protein kinase receptor UFO | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Tyrosine-protein kinase Mer | 1 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Tyrosine-protein kinase Yes | 1 |
Data from ChEMBL 36 via Core Engine