Compound Detail
CHEMBL2387203
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CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2387203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFQUSLQYURJBIT-KGPSKUFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
1079.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1,3-glucan synthase CHEMBL2037 | IC50 | 7.75 | 7.75 | 17.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1,3-glucan synthase | IC50 | = | 17.6 | nM | 7.75 | Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,... | 23623416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Candida albicans | 12 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Meyerozyma guilliermondii | 2 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Aspergillus fumigatus | 2 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Candida parapsilosis | 2 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Pichia kudriavzevii | 2 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Clavispora lusitaniae | 2 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Nakaseomyces glabratus | 2 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Escherichia coli | 1 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Staphylococcus aureus | 1 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Cryptococcus neoformans | 1 |
| 23623416 | 10.1016/j.bmcl.2013.03.115 | Beta-1,3-glucan synthase | 1 |
Data from ChEMBL 36 via Core Engine