Compound Detail
CHEMBL279472
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Basic Information
| ChEMBL ID | CHEMBL279472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQKRMMHNSGWERE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.33
ALogP
4
HBA
2
HBD
53.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.4 | 5.98 | 400.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 400.0 | nM | 6.4 | Inhibitory concentration against IL-3 independent Ba/F3 Kit cell line with SCF (... | 16190746 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 600.0 | nM | 6.22 | Inhibitory concentration against IL-3 independent Ba/F3 Kit D816V cell line | 16190746 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory concentration against c-Kit D816V type expressed in recombinant bacul... | 16190746 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory concentration against c-Kit wild type expressed in recombinant baculo... | 16190746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7452670 | 10.1021/jm00185a012 | Mus musculus | 7 |
| 6827534 | 10.1021/jm00356a012 | L1210 | 5 |
| 16190746 | 10.1021/jm050231m | Mast/stem cell growth factor receptor Kit | 4 |
| 6827534 | 10.1021/jm00356a012 | Mus musculus | 2 |
| 7452670 | 10.1021/jm00185a012 | Nucleic Acid | 2 |
| 7452670 | 10.1021/jm00185a012 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine