Compound Detail
CHEMBL4446778
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Basic Information
| ChEMBL ID | CHEMBL4446778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBOTWLCSDHOKLJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596967 |
| Active Moiety | CHEMBL4596967 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.14
ALogP
8
HBA
1
HBD
70.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unk... | 31721578 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 47.0 | nM | 7.33 | Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(... | 31721578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31721578 | 10.1021/acs.jmedchem.9b01229 | Mast/stem cell growth factor receptor Kit | 1 |
| 31721578 | 10.1021/acs.jmedchem.9b01229 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 31721578 | 10.1021/acs.jmedchem.9b01229 | GISTT1 | 1 |
| 31721578 | 10.1021/acs.jmedchem.9b01229 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine