Compound Detail
CHEMBL465345
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C[C@@H]1CC[C@@H]2[C@]34OO[C@](C)(CC[C@@H]13)O[C@H]4OC(=O)[C@@]21CO1
Basic Information
| ChEMBL ID | CHEMBL465345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRHDWSONYNOKDK-HEKJNUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.53
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12700.0 | nM | 4.9 | Cytotoxicity against mouse EN2 cells after 72 hrs by MTT assay | 9134741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784134 | 10.1021/jm0100234 | Plasmodium falciparum | 1 |
| 9134741 | 10.1021/np9605495 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine