Compound Detail
CHEMBL5277875
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CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(CC6CCCCC6)c5c4)[nH]n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5277875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWSHIFDXMLEWDL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
5.77
ALogP
6
HBA
3
HBD
90.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 3.86 | nM | 8.41 | Inhibition of human FLT3-ITD mutant preincubated with enzyme for 20 mins followe... | 34550682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34550682 | 10.1021/acs.jmedchem.1c01196 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 34550682 | 10.1021/acs.jmedchem.1c01196 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine