Compound Detail
CHEMBL5631737
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O=C(CCCCCCC(=O)Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4Cl)c3c2)[nH]n1)NO
Basic Information
| ChEMBL ID | CHEMBL5631737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVIWUTJJROOEMJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
5.05
ALogP
6
HBA
4
HBD
124.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.96 | 7.96 | 10.9 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.3 | 7.3 | 50.2 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.31 | 6.31 | 487.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 10.9 | nM | 7.96 | Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK as substrate preincubated... | 37659198 |
| Histone deacetylase 1 | IC50 | = | 50.2 | nM | 7.3 | Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate preincubated... | 37659198 |
| MV4-11 | IC50 | = | 487.0 | nM | 6.31 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 37659198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37659198 | 10.1016/j.ejmech.2023.115759 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 37659198 | 10.1016/j.ejmech.2023.115759 | Histone deacetylase 1 | 1 |
| 37659198 | 10.1016/j.ejmech.2023.115759 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine