Compound Detail
CHEMBL181201
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Basic Information
| ChEMBL ID | CHEMBL181201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOHIBQDPTKRFSZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.63
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-glucopyranoside ... | 28497968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22424614 | 10.1016/j.ejmech.2011.12.039 | Staphylococcus aureus | 4 |
| 22424614 | 10.1016/j.ejmech.2011.12.039 | Enterococcus | 2 |
| 28497968 | 10.1021/acs.jnatprod.7b00250 | Unchecked | 2 |
| 15582432 | 10.1016/j.bmcl.2004.10.011 | HepG2 | 1 |
| 22424614 | 10.1016/j.ejmech.2011.12.039 | Candida albicans | 1 |
| 22424614 | 10.1016/j.ejmech.2011.12.039 | Aspergillus fumigatus | 1 |
| 22424614 | 10.1016/j.ejmech.2011.12.039 | HL-60 | 1 |
| 22424614 | 10.1016/j.ejmech.2011.12.039 | PC-3 | 1 |
| 22424614 | 10.1016/j.ejmech.2011.12.039 | MOLT-4 | 1 |
| 31278004 | 10.1016/j.bmc.2019.06.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine