Compound Detail
CHEMBL1835176
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Basic Information
| ChEMBL ID | CHEMBL1835176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJCGJLRDLCHDJL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
4.36
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.14 | 4.1 | 72000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 72000.0 | nM | 4.14 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O-positive h... | 21889338 |
| Plasmodium falciparum | IC50 | = | 87000.0 | nM | 4.06 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O positive e... | 23659857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889338 | 10.1016/j.bmcl.2011.07.088 | Plasmodium falciparum | 2 |
| 23659857 | 10.1016/j.bmcl.2013.04.026 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine