Compound Detail
CHEMBL2179172
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Basic Information
| ChEMBL ID | CHEMBL2179172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSRLJMGLNQLTLO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
306.7
MW (Da)
3.51
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.54 | 2740.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2740.0 | nM | 5.56 | Inhibition of envelope protein in Zika virus | 33689873 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of NS-1in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35398731 | 10.1016/j.ejmech.2022.114318 | Pseudomonas aeruginosa | 4 |
| 22970937 | 10.1021/jm3007596 | Toxoplasma gondii | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | Vero C1008 | 1 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine