Compound Detail
CHEMBL483377
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CN(C)C(=N)N.C[C@@H]1CCC2=C(CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL483377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONTXHTUOFUFOL-STUMESSYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
539.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate lyase CHEMBL5359 | IC50 | 4.47 | 4.47 | 33800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate lyase | IC50 | = | 33800.0 | nM | 4.47 | Inhibition of candida albicans isocitrate lyase | 18824352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Isocitrate lyase | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Candida albicans | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Staphylococcus aureus | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Bacillus subtilis | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Micrococcus luteus | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Proteus vulgaris | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Salmonella typhimurium | 1 |
| 18824352 | 10.1016/j.bmcl.2008.09.059 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine