Compound Detail
CHEMBL43901
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Basic Information
| ChEMBL ID | CHEMBL43901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAQZUIHNNWAYSN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
-0.32
ALogP
9
HBA
3
HBD
136.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 4.51 | 4.3 | 31000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 31000.0 | nM | 4.51 | Compound was tested for antiviral activity against Herpes Simplex virus Type-2(M... | 3040998 |
| Vero | IC50 | = | 81000.0 | nM | 4.09 | Compound was tested for antiviral activity against Herpes Simplex virus Type-1(H... | 3040998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3040998 | 10.1021/jm00392a020 | Vero | 2 |
Data from ChEMBL 36 via Core Engine