Compound Detail
CHEMBL2158885
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Basic Information
| ChEMBL ID | CHEMBL2158885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKTMDTCYDXQEKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.43
ALogP
5
HBA
2
HBD
75.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of recombinant Plasmodium falciparum falcipain 2 incubated with compo... | 23040894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23040894 | 10.1016/j.bmc.2012.09.008 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine