Compound Detail
CHEMBL5641673
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COc1ccc2nc(-c3n[nH]c4ccc(C(=O)N[C@H]5CC[C@H](N)C5)cc34)[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL5641673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFHSKGYWWBZJG-STQMWFEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.72
ALogP
5
HBA
4
HBD
121.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 10.21 | 10.21 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.061 | nM | 10.21 | 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 | Unchecked | 2 |
| 37866334 | 10.1016/j.ejmech.2023.115860 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine