Compound Detail
CHEMBL90495
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Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C(C)(C)C)cc4)o3)cc2C(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL90495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXBFBDLIYKAYCG-BSYVCWPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
596.7
MW (Da)
8.62
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against multidrug-resistant Plasmodium falciparum Dd2. | 12217353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217353 | 10.1016/s0960-894x(02)00555-3 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine