Compound Detail
CHEMBL1773221
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Basic Information
| ChEMBL ID | CHEMBL1773221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNOLZGUVFGEXEL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL207901 |
| Active Moiety | CHEMBL207901 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.50
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 2200.0 | nM | 5.66 | Growth inhibition of human HT-29 cells expressing c-Kit after 96 hrs by SRB assa... | 24900212 |
| NON-PROTEIN TARGET | IC50 | = | 23000.0 | nM | 4.64 | 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 | NON-PROTEIN TARGET | 1 |
| 24900212 | 10.1021/ml100062z | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine