Compound Detail
CHEMBL1762448
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Basic Information
| ChEMBL ID | CHEMBL1762448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYMKQRAUOJYIAC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
2.98
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.57 | 5.57 | 2690.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.3 | 5.085 | 4990.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 2690.0 | nM | 5.57 | Antiviral activity against HSV1 by plaque reduction assay | 21356589 |
| NON-PROTEIN TARGET | IC50 | = | 4990.0 | nM | 5.3 | Cytotoxicity against vinblastine-selected human KBV1 cells after 72 hrs by MTT a... | 21721528 |
| NON-PROTEIN TARGET | IC50 | = | 13360.0 | nM | 4.87 | Cytotoxicity against human KB-3-1 cells after 72 hrs by MTT assay | 21721528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21721528 | 10.1021/jm2006047 | NON-PROTEIN TARGET | 2 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | Human alphaherpesvirus 1 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | Human alphaherpesvirus 2 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | RD | 1 |
| 21721528 | 10.1021/jm2006047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine