Compound Detail
CHEMBL5274843
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Basic Information
| ChEMBL ID | CHEMBL5274843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZDFVQNVEXLYTR-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.00
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 13.0 | nM | 7.89 | Cytotoxicity against human HeLa cells assessed as cell growth inhibition measure... | 31749907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31749907 | 10.1021/acsmedchemlett.9b00360 | ADMET | 6 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | HCT-116 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | A498 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | HeLa | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | IMR-90 | 1 |
Data from ChEMBL 36 via Core Engine