Compound Detail
CHEMBL3354466
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Basic Information
| ChEMBL ID | CHEMBL3354466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKJOJWMIGCSJKJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
2.05
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyricularia oryzae CHEMBL612925 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyricularia oryzae | EC50 | = | 15000.0 | nM | 4.82 | Antimicrobial activity against Magnaporthe oryzae incubated at 28 degC for 48 hr... | 25488842 |
| HeLa | EC50 | = | 51000.0 | nM | 4.29 | Cytotoxic activity against human HeLa cells after 48 hrs by WST8 assay | 25488842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Caenorhabditis elegans | 2 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Escherichia coli | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Staphylococcus aureus | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Aspergillus fumigatus | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Candida albicans | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Pyricularia oryzae | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | Plasmodium falciparum | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | HeLa | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | NON-PROTEIN TARGET | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | D-amino-acid oxidase | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | D-aspartate oxidase 2 | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | D-aspartate oxidase 1 | 1 |
| 25488842 | 10.1016/j.bmcl.2014.11.042 | D-aspartate oxidase 3 | 1 |
Data from ChEMBL 36 via Core Engine