Compound Detail
CHEMBL5273185
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CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccsc6)c5c4)[nH]n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5273185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNOFHGMDIATJED-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
5.29
ALogP
7
HBA
3
HBD
90.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.25 | 7.25 | 55.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.42 | nM | 8.85 | Inhibition of human FLT3-ITD mutant preincubated with enzyme for 20 mins followe... | 34550682 |
| MV4-11 | IC50 | = | 55.61 | nM | 7.25 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 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 |
| 34550682 | 10.1021/acs.jmedchem.1c01196 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine