Compound Detail
CHEMBL16129
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Basic Information
| ChEMBL ID | CHEMBL16129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWQSQZFFXQPOJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.73
ALogP
5
HBA
3
HBD
66.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Ki 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase alpha catalytic subunit CHEMBL1828 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase alpha catalytic subunit | Ki | = | 36000.0 | nM | 4.44 | Compound was evaluated for the concentration which gives half-maximal inhibition... | 3806587 |
| HeLa | IC50 | = | 40000.0 | nM | 4.4 | Compound was evaluated for the effect on DNA synthesis by HeLa cells in culture ... | 3806587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806587 | 10.1021/jm00384a019 | HeLa | 2 |
| 3806587 | 10.1021/jm00384a019 | DNA polymerase alpha catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine