Compound Detail
CHEMBL5631238
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5631238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPXJBXNWKBRGTA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
4.52
ALogP
6
HBA
4
HBD
124.9
PSA (Ų)
0.15
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.75 | 7.75 | 17.6 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.03 | 6.03 | 934.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.08 | nM | 8.15 | Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK as substrate preincubated... | 37659198 |
| Histone deacetylase 1 | IC50 | = | 17.6 | nM | 7.75 | Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate preincubated... | 37659198 |
| MV4-11 | IC50 | = | 934.0 | nM | 6.03 | 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