Compound Detail
CHEMBL1783733
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CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1783733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLAZMHQALXOUDP-RTMOGGMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
5.03
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.44
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Plasmodium falciparum recombinant falcipain-2 incubated for 30 min... | 19435664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19435664 | 10.1016/j.bmcl.2009.04.100 | Unchecked | 2 |
| 19435664 | 10.1016/j.bmcl.2009.04.100 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine