Compound Detail
CHEMBL4870292
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CO[C@@H]1[C@@H](OC)[C@H](C)C(O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5OC(C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4O[C@@H]4C[C@H](OC)[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL4870292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWVUEZAROXKXRT-IEYXJDNKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
917.1
MW (Da)
4.32
ALogP
16
HBA
4
HBD
208.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium cynomolgi CHEMBL613883 | IC50 | 8.0 | 7.685 | 10.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium cynomolgi | IC50 | = | 10.0 | nM | 8.0 | Antiplasmodial activity against liver stage Plasmodium cynomolgi B infected in n... | 34917261 |
| Plasmodium cynomolgi | IC50 | = | 20.0 | nM | 7.7 | Antiplasmodial activity against liver stage Plasmodium cynomolgi B infected in n... | 34917261 |
| Plasmodium cynomolgi | IC50 | = | 30.0 | nM | 7.52 | Antiplasmodial activity against liver stage Plasmodium cynomolgi B infected in n... | 34917261 |
| Plasmodium cynomolgi | IC50 | = | 30.0 | nM | 7.52 | Antiplasmodial activity against liver stage Plasmodium cynomolgi B infected in n... | 34917261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34917261 | 10.1021/acsmedchemlett.1c00540 | Plasmodium cynomolgi | 4 |
| 34917261 | 10.1021/acsmedchemlett.1c00540 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine