Compound Detail
CHEMBL188101
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Basic Information
| ChEMBL ID | CHEMBL188101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATLLVBQTNLDUFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.58
ALogP
4
HBA
1
HBD
87.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1800.0 | nM | 5.75 | Inhibitory concentration against Plasmodium falciparum FcBIR | 15537352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537352 | 10.1021/jm0497545 | Plasmodium falciparum | 1 |
| 15537352 | 10.1021/jm0497545 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine