Compound Detail
CHEMBL510257
VINAXANTHONE Enter ChEMBL ID:
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CC(=O)c1cc2c(=O)c3c(C(=O)O)c(O)c(O)cc3oc2c(C(C)=O)c1-c1coc2cc(O)c(O)c(C(=O)O)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL510257 |
| Name | VINAXANTHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEYYEMQDVMMNNR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
576.4
MW (Da)
3.34
ALogP
12
HBA
6
HBD
250.1
PSA (Ų)
0.10
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL5188 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Staphylococcus aureus FabI assessed as incorporation of [1-14C]ace... | 33130290 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH usin... | 32883635 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of rat brain PI-PLCgamma1 | 9677265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18355033 | 10.1021/np800020p | Agrobacterium tumefaciens | 2 |
| 18355033 | 10.1021/np800020p | Bacillus subtilis | 1 |
| 18355033 | 10.1021/np800020p | Staphylococcus aureus | 1 |
| 18355033 | 10.1021/np800020p | Escherichia coli | 1 |
| 18355033 | 10.1021/np800020p | Saccharomyces cerevisiae | 1 |
| 18355033 | 10.1021/np800020p | Paracentrotus lividus | 1 |
| 9677265 | 10.1021/np970367q | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | 1 |
| 33130290 | 10.1016/j.bmcl.2020.127651 | Staphylococcus aureus | 1 |
| 33130290 | 10.1016/j.bmcl.2020.127651 | Unchecked | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 1 |
Data from ChEMBL 36 via Core Engine