Compound Detail
CHEMBL5287755
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1[C@H](OC(=O)CCC(=O)Nc2ccc3ncnc(Cc4ccc(Cl)c(Cl)c4)c3c2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL5287755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQLQYWUPARUVTD-GMLSHVKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
670.6
MW (Da)
7.00
ALogP
9
HBA
1
HBD
118.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
| ADR5000 cell line CHEMBL614266 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| CCRF-CEM CHEMBL382 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1.4 | nM | 8.85 | Antimalarial activity against Plasmodium falciparum 3D7 | 33508479 |
| ADR5000 cell line | EC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human CEM/ADR5000 cells | 33508479 |
| CCRF-CEM | EC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against human CCRF-CEM cells | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | CCRF-CEM | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | ADR5000 cell line | 1 |
Data from ChEMBL 36 via Core Engine