Compound Detail
CHEMBL1825041
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Basic Information
| ChEMBL ID | CHEMBL1825041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUQOYEQXTSAKAT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
299.5
MW (Da)
5.01
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.97 | 4.965 | 10700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate ... | 21703734 |
| Plasmodium falciparum | IC50 | = | 10700.0 | nM | 4.97 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 ass... | 36760749 |
| Plasmodium falciparum | IC50 | = | 11000.0 | nM | 4.96 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 ass... | 36760749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36760749 | 10.1039/d2md00324d | Plasmodium falciparum | 2 |
| 36760749 | 10.1039/d2md00324d | ADMET | 2 |
| 21703734 | 10.1016/j.ejmech.2011.05.074 | Aromatase | 1 |
| 22483635 | 10.1016/j.ejmech.2012.03.029 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1 |
| 22483635 | 10.1016/j.ejmech.2012.03.029 | Mycobacterium tuberculosis | 1 |
| 36760749 | 10.1039/d2md00324d | Vero | 1 |
Data from ChEMBL 36 via Core Engine