Compound Detail
CHEMBL63480
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Basic Information
| ChEMBL ID | CHEMBL63480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMOPBCMNPLURLP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
287.1
MW (Da)
0.74
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Simplexvirus CHEMBL613316 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 130.0 | nM | 6.89 | Cytotoxicity against human neoplastic cell line(KB cells) | 2846837 |
| Human betaherpesvirus 5 | IC50 | = | 3900.0 | nM | 5.41 | Inhibitory concentration against human cytomegalovirus (HCMV) in plaque reductio... | 2846837 |
| Human alphaherpesvirus 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory concentration against HCMV in plaque reduction assay | 2846837 |
| Simplexvirus | IC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against Herpes simplex virus | 19112024 |
| HFF | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against uninfected human foreskin fibroblast(HFF cells) | 2846837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2846837 | 10.1021/jm00119a006 | ADMET | 3 |
| 2846837 | 10.1021/jm00119a006 | Human betaherpesvirus 5 | 1 |
| 2846837 | 10.1021/jm00119a006 | Human alphaherpesvirus 1 | 1 |
| 2846837 | 10.1021/jm00119a006 | HFF | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Simplexvirus | 1 |
Data from ChEMBL 36 via Core Engine