Compound Detail
CHEMBL5193007
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Basic Information
| ChEMBL ID | CHEMBL5193007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNCIRRXQQTXEL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
4.45
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | IC50 | 7.57 | 7.31 | 27.0 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zika virus | IC50 | = | 27.0 | nM | 7.57 | Antiviral activity against ZIKV MR766 infected in 1 hr pretreated rhesus monkey ... | 33539089 |
| Cyclin-dependent kinase 7 | IC50 | = | 71.0 | nM | 7.15 | Inhibition of CDk7 (unknown origin) | 33539089 |
| Zika virus | IC50 | = | 90.0 | nM | 7.05 | Antiviral activity against ZIKV | 33539089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Zika virus | 2 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Cyclin-dependent kinase 7 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine