Compound Detail
CHEMBL1807636
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COC(=O)c1nnn([C@@H]2C(=O)N(c3ccc(Cl)cc3)[C@@H]2/C=C/c2ccccc2)c1C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL1807636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGSCUDQHRJZTAT-ZJZATTOMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
3.17
ALogP
8
HBA
0
HBD
103.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.91 | 4.755 | 12270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12270.0 | nM | 4.91 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 21705220 |
| Plasmodium falciparum | IC50 | = | 25050.0 | nM | 4.6 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 | 21705220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21705220 | 10.1016/j.bmcl.2011.05.119 | Plasmodium falciparum | 3 |
| 21705220 | 10.1016/j.bmcl.2011.05.119 | KB | 3 |
Data from ChEMBL 36 via Core Engine