Compound Detail
CHEMBL323669
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C[C@H](/N=C(\S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL323669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKTPIWMJHDVAPY-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
6.89
ALogP
4
HBA
3
HBD
66.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytomegalovirus CHEMBL613134 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytomegalovirus | IC50 | = | 0.6 | nM | 9.22 | Inhibitory activity against cytomegalo virus was determined | 15177441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177441 | 10.1016/j.bmcl.2004.04.093 | Cytomegalovirus | 1 |
| 15177441 | 10.1016/j.bmcl.2004.04.093 | Human alphaherpesvirus 2 | 1 |
| 15177441 | 10.1016/j.bmcl.2004.04.093 | Human alphaherpesvirus 3 | 1 |
| 15177441 | 10.1016/j.bmcl.2004.04.093 | Respiratory syncytial virus | 1 |
| 15177441 | 10.1016/j.bmcl.2004.04.093 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine