Compound Detail
CHEMBL78951
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Basic Information
| ChEMBL ID | CHEMBL78951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYNARAWTVHQHDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
-0.92
ALogP
7
HBA
3
HBD
123.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 0.16 | nM | 9.8 | Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition ... | 10464017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11448221 | 10.1021/jm010856u | Dihydrofolate reductase | 2 |
| 10464017 | 10.1021/jm981132u | Vero | 1 |
| 11448221 | 10.1021/jm010856u | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine