Compound Detail
CHEMBL5281206
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COc1ccc2nc3cc(Cl)ccc3c(NCCNCCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c2c1
Basic Information
| ChEMBL ID | CHEMBL5281206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVBQIHJGBOLXTL-FCXNCOJLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.2
MW (Da)
6.28
ALogP
9
HBA
2
HBD
92.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.59 | 8.02 | 2.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.6 | nM | 8.59 | Antiplasmodial activity against Plasmodium falciparum NF54 | 33989911 |
| Plasmodium falciparum | IC50 | = | 2.6 | nM | 8.59 | Antimalarial activity against Plasmodium falciparum NF54 | 33508479 |
| Plasmodium falciparum | IC50 | = | 35.3 | nM | 7.45 | Antiplasmodial activity against Plasmodium falciparum DD2 | 33989911 |
| Plasmodium falciparum | IC50 | = | 35.3 | nM | 7.45 | Antimalarial activity against Plasmodium falciparum Dd2 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33989911 | 10.1016/j.ejmech.2021.113408 | Plasmodium falciparum | 2 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine