Compound Detail
CHEMBL89599
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CCCOc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)Cc4ccc(C)cc4)c(C(=O)c4ccccc4)c3)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL89599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMUQRCZFFWNYIV-ZBJSNUHESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
8.11
ALogP
5
HBA
2
HBD
97.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 750.0 | nM | 6.12 | 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