Compound Detail
CHEMBL274309
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Basic Information
| ChEMBL ID | CHEMBL274309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYDTUVWHOYTQIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.2
MW (Da)
3.26
ALogP
2
HBA
1
HBD
3.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration was evaluated against colorectal tumar cell line LoVo | 8676345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676345 | 10.1021/jm950671l | LoVo | 1 |
| 619146 | 10.1021/jm00199a004 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine