Compound Detail
CHEMBL19074
PENTAACETYLQUERCETIN Enter ChEMBL ID:
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CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1
Basic Information
| ChEMBL ID | CHEMBL19074 |
| Name | PENTAACETYLQUERCETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQUHMSXLZZWRHU-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
512.4
MW (Da)
3.09
ALogP
12
HBA
0
HBD
161.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Leishmania peruviana CHEMBL613215 | IC50 | 4.95 | 4.95 | 11180.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.33 | 4.33 | 46780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of reduced carboxymethylated kappa-casein fibril formation measured e... | 19931462 |
| Leishmania peruviana | IC50 | = | 11180.0 | nM | 4.95 | Antileishmanial activity against extracellular Leishmania peruviana promastigote... | 19489596 |
| Leishmania braziliensis | IC50 | = | 46780.0 | nM | 4.33 | Antileishmanial activity against extracellular Leishmania braziliensis promastig... | 19489596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19489596 | 10.1021/np8008122 | Leishmania peruviana | 12 |
| 12182864 | 10.1016/s0960-894x(02)00478-x | Rattus norvegicus | 6 |
| 12182864 | 10.1016/s0960-894x(02)00478-x | Aflatoxin B1 aldehyde reductase member 3 | 3 |
| 6292419 | 10.1021/jm00352a019 | Unchecked | 3 |
| 8350094 | 10.1021/np50096a018 | Platelet | 3 |
| 19489596 | 10.1021/np8008122 | J774.2 | 3 |
| 19931462 | 10.1016/j.bmc.2009.10.063 | Unchecked | 3 |
| 19489596 | 10.1021/np8008122 | Leishmania braziliensis | 2 |
| 6292419 | 10.1021/jm00352a019 | Phosphodiesterase 1 | 1 |
| 6292419 | 10.1021/jm00352a019 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 17228866 | 10.1021/jm060912x | No relevant target | 1 |
| 17228866 | 10.1021/jm060912x | ADMET | 1 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 24521209 | 10.1021/np400717m | Arginase | 1 |
Data from ChEMBL 36 via Core Engine