Compound Detail
CHEMBL1773218
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Basic Information
| ChEMBL ID | CHEMBL1773218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWNAFJOQXURHBK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL425544 |
| Active Moiety | CHEMBL425544 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.16
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 300.0 | nM | 6.52 | Growth inhibition of human HT-29 cells expressing c-Kit after 96 hrs by SRB assa... | 24900212 |
| NON-PROTEIN TARGET | IC50 | = | 4100.0 | nM | 5.39 | Growth inhibition of human GIST882 cells expressing c-Kit after 96 hrs by SRB as... | 24900212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900212 | 10.1021/ml100062z | Nucleic Acid | 8 |
| 24900212 | 10.1021/ml100062z | Mast/stem cell growth factor receptor Kit | 5 |
| 24900212 | 10.1021/ml100062z | NON-PROTEIN TARGET | 1 |
| 24900212 | 10.1021/ml100062z | HT-29 | 1 |
| 24900212 | 10.1021/ml100062z | ADMET | 1 |
Data from ChEMBL 36 via Core Engine