Compound Detail
CHEMBL257619
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CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL257619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFCUWKMKBJTWLW-BKHRDMLASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
1085.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 5.47 | 5.19 | 3390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase | IC50 | = | 3390.0 | nM | 5.47 | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli B... | 33069066 |
| Aspartyl/asparaginyl beta-hydroxylase | IC50 | = | 12200.0 | nM | 4.91 | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli B... | 33069066 |
Literature References
Data from ChEMBL 36 via Core Engine