Compound Detail
CHEMBL2112112
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Basic Information
| ChEMBL ID | CHEMBL2112112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQKCYHNCEAZZOW-SQNIBIBYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.55
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.32 | 5.31 | 4800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 4800.0 | nM | 5.32 | Effect on DNA synthesis by HeLa cells was determined by the percentage inhibitio... | 3806587 |
| HeLa | IC50 | = | 5000.0 | nM | 5.3 | Compound was evaluated for the effect on growth and macromolecule synthesis by H... | 3806587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806587 | 10.1021/jm00384a019 | HeLa | 4 |
Data from ChEMBL 36 via Core Engine