Compound Detail
CHEMBL4851401
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Basic Information
| ChEMBL ID | CHEMBL4851401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYXIUGOEMLIFBN-ATVHPVEESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.77
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.36 | 7.36 | 44.2 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.19 | 7.19 | 64.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of FLT3 (unknown origin) incubated for 30 mins in presence of ATP by ... | 33797247 |
| MV4-11 | IC50 | = | 44.2 | nM | 7.36 | Antiproliferative activity against human MV4-11 cells incubated for 72 hrs by Ce... | 33797247 |
| MOLM-13 | IC50 | = | 64.2 | nM | 7.19 | Antiproliferative activity against human MOLM-13 cells incubated for 72 hrs by C... | 33797247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33797247 | 10.1021/acs.jmedchem.0c02247 | MV4-11 | 1 |
| 33797247 | 10.1021/acs.jmedchem.0c02247 | MOLM-13 | 1 |
| 33797247 | 10.1021/acs.jmedchem.0c02247 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine