Compound Detail
CHEMBL1254748
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Basic Information
| ChEMBL ID | CHEMBL1254748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXHOTIXTDQAMLQ-GZTJUZNOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.71
ALogP
6
HBA
5
HBD
133.9
PSA (Ų)
0.13
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1,3-glucan synthase CHEMBL2037 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1,3-glucan synthase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of Candida albicans 1,3 beta-D-glucan synthase | 20813534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20813534 | 10.1016/j.bmc.2010.08.022 | Beta-1,3-glucan synthase | 1 |
| 20813534 | 10.1016/j.bmc.2010.08.022 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine