Compound Detail
CHEMBL90955
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Basic Information
| ChEMBL ID | CHEMBL90955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBZLJOFUUIKMAO-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1205374 |
| Active Moiety | CHEMBL1205374 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
216.1
MW (Da)
2.24
ALogP
3
HBA
2
HBD
83.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase catalytic subunit CHEMBL1872 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase catalytic subunit | IC50 | = | 87000.0 | nM | 4.06 | Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay | 6298425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6298425 | 10.1021/jm00356a028 | DNA polymerase catalytic subunit | 1 |
| 6298425 | 10.1021/jm00356a028 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine