Compound Detail
CHEMBL446254
DEHYDROMETHOXYGAERTNEROSIDE Enter ChEMBL ID:
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COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL446254 |
| Name | DEHYDROMETHOXYGAERTNEROSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIDIXCFHWOHPTF-SPJPOALZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
576.5
MW (Da)
-1.16
ALogP
14
HBA
5
HBD
207.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against cycloguanil-resistant Plasmodium falciparum CDC1 a... | 20149652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12542353 | 10.1021/np020215h | Molecular identity unknown | 2 |
| 15844957 | 10.1021/np0495985 | NON-PROTEIN TARGET | 2 |
| 15844957 | 10.1021/np0495985 | Radical scavenging activity | 1 |
| 20149652 | 10.1016/j.bmcl.2010.01.095 | Plasmodium falciparum | 1 |
| 20149652 | 10.1016/j.bmcl.2010.01.095 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine