Compound Detail
CHEMBL119540
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Basic Information
| ChEMBL ID | CHEMBL119540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVWWJPDVMIKQJH-TVFCKZIOSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
1.86
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.4
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase alpha catalytic subunit CHEMBL1828 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase alpha catalytic subunit | EC50 | = | 4000.0 | nM | 5.4 | Effective concentration against DNA polymerase alpha | 8246219 |
| MRC5 | IC50 | = | 76000.0 | nM | 4.12 | Inhibitory concentration against human cytomegalovirus (HCMV1) in MRC5 cells | 8246219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246219 | 10.1021/jm00075a003 | Vero | 3 |
| 8246219 | 10.1021/jm00075a003 | MRC5 | 2 |
| 8246219 | 10.1021/jm00075a003 | Human alphaherpesvirus 2 | 1 |
| 8246219 | 10.1021/jm00075a003 | DNA polymerase alpha catalytic subunit | 1 |
| 8246219 | 10.1021/jm00075a003 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine