Compound Detail
CHEMBL3144215
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CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)C3=N2)cc1
Basic Information
| ChEMBL ID | CHEMBL3144215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFOQRLJVFKLMCQ-MYAYHUAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
639.4
MW (Da)
1.27
ALogP
13
HBA
6
HBD
258.7
PSA (Ų)
0.18
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase alpha catalytic subunit CHEMBL1828 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase alpha catalytic subunit | Ki | = | 1.0 | nM | 9.0 | Compound was tested for its inhibitory activity against HeLa DNA polymerase alph... | 6694166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6694166 | 10.1021/jm00368a012 | DNA polymerase alpha catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine