Compound Detail
CHEMBL5266690
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C[C@H]1[C@H](N2CCN(C(=O)Nc3ccc(F)cc3)CC2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL5266690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USJQDXYIXWEYAI-CAEJDMPKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.18
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.07 | 8.6767 | 0.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.85 | nM | 9.07 | Antimalarial activity against Plasmodium falciparum K1 | 33508479 |
| Plasmodium falciparum | IC50 | = | 1.21 | nM | 8.92 | Antimalarial activity against Plasmodium falciparum NF54 | 33508479 |
| Plasmodium falciparum | IC50 | = | 9.2 | nM | 8.04 | Antimalarial activity against Plasmodium falciparum Dd2 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine