Compound Detail
CHEMBL488985
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CC(=O)Nc1ncc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1
Basic Information
| ChEMBL ID | CHEMBL488985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALMLNCLAVUOCSW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.8
MW (Da)
5.24
ALogP
7
HBA
3
HBD
122.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.74 | 6.74 | 182.0 | 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 | = | 4.0 | nM | 8.4 | Inhibition of c-kit | 18723346 |
| Unchecked | IC50 | = | 182.0 | nM | 6.74 | Inhibition of p38 | 18723346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Unchecked | 2 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine