Compound Detail
CHEMBL2348293
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Basic Information
| ChEMBL ID | CHEMBL2348293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPXYHNATOUPESC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
635.0
MW (Da)
4.29
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proliferating cell nuclear antigen CHEMBL2346488 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 155.8 | ng/g.hr | Mus musculus |
| AUC | 4020.0 | ng/g.hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proliferating cell nuclear antigen | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carbox... | 23395113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23395113 | 10.1016/j.bmc.2013.01.022 | Proliferating cell nuclear antigen | 6 |
| 32787092 | 10.1021/acs.jmedchem.0c00868 | ADMET | 4 |
| 23395113 | 10.1016/j.bmc.2013.01.022 | U2OS | 2 |
| 23395113 | 10.1016/j.bmc.2013.01.022 | HeLa | 1 |
| 32787092 | 10.1021/acs.jmedchem.0c00868 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine