Compound Detail
CHEMBL402471
ISOCRENATOSIDE Enter ChEMBL ID:
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@H]3OC[C@H](c4ccc(O)c(O)c4)O[C@@H]32)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL402471 |
| Name | ISOCRENATOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYNJOHBQQZWZTB-WLLRULDYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
622.6
MW (Da)
-0.48
ALogP
15
HBA
8
HBD
234.3
PSA (Ų)
0.11
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 53120.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.03 | 4.03 | 93110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 53120.0 | nM | 4.28 | Inhibition of recombinant Plasmodium falciparum falcipain 2 after 30 mins by flu... | 24530004 |
| Plasmodium falciparum | IC50 | = | 93110.0 | nM | 4.03 | Antiplasmodial activity against chloroquine-resistant blood stage Plasmodium fal... | 24530004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15217277 | 10.1021/np040021x | Angiotensin-converting enzyme | 3 |
| 24530004 | 10.1016/j.bmcl.2014.01.074 | Plasmodium falciparum | 2 |
| 26774928 | 10.1016/j.ejmech.2015.12.031 | Neuraminidase | 2 |
| 15217277 | 10.1021/np040021x | Human alphaherpesvirus 2 | 1 |
| 24530004 | 10.1016/j.bmcl.2014.01.074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine