Compound Detail
CHEMBL5278258
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CCCCCCCCCCCCCCCCc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL5278258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIZWXJMOSPPGAG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
690.8
MW (Da)
5.53
ALogP
11
HBA
7
HBD
203.4
PSA (Ų)
0.05
QED
4
Ro5 Violations
21
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH usin... | 32883635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 1 |
Data from ChEMBL 36 via Core Engine