Compound Detail
CHEMBL155159
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CCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)c(C(=O)c3ccccc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL155159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJLOYMPYLDHYBD-JJIBRWJFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
594.7
MW (Da)
8.21
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.72 | 4.67 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19000.0 | nM | 4.72 | Antimalarial activity against Plasmodium falciparum 3D7 in erythrocytes | 11844668 |
| Plasmodium falciparum | IC50 | = | 24000.0 | nM | 4.62 | Antimalarial activity against Plasmodium falciparum Dd2 in erythrocytes | 11844668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844668 | 10.1016/s0960-894x(01)00798-3 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine