Compound Detail
CHEMBL1939232
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Basic Information
| ChEMBL ID | CHEMBL1939232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTEPFGMDAGMACG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
3.19
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.09 | 4.895 | 8100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of Plasmodium falciparum falcipain-2 using Z-Leu-Arg-AMC as substrate... | 22192590 |
| Unchecked | IC50 | = | 19800.0 | nM | 4.7 | Inhibition of Plasmodium falciparum DHFR assessed as oxidation of NADPH to NADP+... | 22192590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22192590 | 10.1016/j.bmcl.2011.12.011 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine