Compound Detail
CHEMBL5595005
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Basic Information
| ChEMBL ID | CHEMBL5595005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMRWEMNKOOMBHT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.56
ALogP
8
HBA
1
HBD
78.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-14 CHEMBL3706570 | IC50 | 8.6 | 8.26 | 2.5 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| K562 CHEMBL385 | IC50 | 6.01 | 6.01 | 969.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-14 | IC50 | = | 2.49 | nM | 8.6 | Antiproliferative activity against human MOLM-14 cells assessed as inhibition of... | 38056299 |
| MOLM-14 | IC50 | = | 4.64 | nM | 8.33 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-D835Y muta... | 38056299 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 6.63 | nM | 8.18 | Inhibition of FLT3 (unknown origin) by bioluminescent ADP-Glo assay | 38056299 |
| MOLM-14 | IC50 | = | 13.99 | nM | 7.85 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-F691L muta... | 38056299 |
| K562 | IC50 | = | 969.0 | nM | 6.01 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 38056299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38056299 | 10.1016/j.ejmech.2023.115977 | MOLM-14 | 3 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | K562 | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | MDA-MB-231 | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | HEK293 | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine