Compound Detail
CHEMBL1682259
PHELLINSTATIN Enter ChEMBL ID:
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O=c1cc(O)cc([C@H]2c3c(cc(/C=C/c4cc(O)c(O)cc4-c4c(O)cc(/C=C/c5ccc(O)c(O)c5)oc4=O)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1
Basic Information
| ChEMBL ID | CHEMBL1682259 |
| Name | PHELLINSTATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAEWYNFUJFCGQA-UPSVAIHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
734.6
MW (Da)
5.46
ALogP
15
HBA
8
HBD
261.7
PSA (Ų)
0.09
QED
4
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 5.22 | 5.22 | 6000.0 | 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 | = | 6000.0 | nM | 5.22 | Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of ... | 21316961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316961 | 10.1016/j.bmcl.2011.01.080 | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 2 |
| 21316961 | 10.1016/j.bmcl.2011.01.080 | Staphylococcus aureus | 2 |
Data from ChEMBL 36 via Core Engine