Compound Detail
CHEMBL4450651
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CCc1cc(NC(=O)N2CC=C(c3cnc(Nc4cc(N5CCN(CC)CC5)nc(C)n4)s3)CC2)no1
Basic Information
| ChEMBL ID | CHEMBL4450651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOSHNFWHVQJBGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.7
MW (Da)
4.00
ALogP
10
HBA
2
HBD
115.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 82.0 | nM | 7.09 | Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 resid... | 30968693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30968693 | 10.1021/acs.jmedchem.8b01845 | GISTT1 | 2 |
| 30968693 | 10.1021/acs.jmedchem.8b01845 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine