Compound Detail
CHEMBL231913
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Cc1c(CN(C)CC(O)c2ccco2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12
Basic Information
| ChEMBL ID | CHEMBL231913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDWGACAKOJZSJR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.0
MW (Da)
4.25
ALogP
7
HBA
2
HBD
87.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 4.0 | nM | 8.4 | Antiviral activity against HCMV in human foreskin fibroblast assessed as inhibit... | 17513108 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human cytomegalovirus DNA polymerase | 17513108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17513108 | 10.1016/j.bmcl.2007.05.010 | Unchecked | 1 |
| 17513108 | 10.1016/j.bmcl.2007.05.010 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine