Compound Detail
CHEMBL4436208
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CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCN(CCO)CC5)ncn4)s3)cc2)no1
Basic Information
| ChEMBL ID | CHEMBL4436208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXQQZNBKCANEIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.65
ALogP
11
HBA
4
HBD
144.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.15 | 7.15 | 71.0 | 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 | = | 71.0 | nM | 7.15 | 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