Compound Detail
CHEMBL492091
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Basic Information
| ChEMBL ID | CHEMBL492091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVTDCPBGCCPEBA-ZHACJKMWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
4.06
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
EC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.26 | 5.26 | 5440.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.11 | 4.11 | 78200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 1800.0 | nM | 5.75 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by try... | 18378360 |
| Nuclear factor NF-kappa-B complex | EC50 | = | 5440.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 78200.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22335538 | 10.1021/jm201006x | U-251 | 3 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | Entamoeba histolytica | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | ADMET | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00513B | ADMET | 1 |
| - | 10.1039/C5MD00513B | MCF7 | 1 |
| - | 10.1039/C5MD00513B | HeLa | 1 |
| - | 10.1039/C5MD00513B | A549 | 1 |
| - | 10.1039/C5MD00513B | NON-PROTEIN TARGET | 1 |
| 37301075 | 10.1016/j.ejmech.2023.115540 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine