Compound Detail
CHEMBL119701
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Basic Information
| ChEMBL ID | CHEMBL119701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTOBGLRRVLDLEI-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1179278 |
| Active Moiety | CHEMBL1179278 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
286.6
MW (Da)
4.30
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.05 | 6.8875 | 90.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | In vitro activity against Plasmodium falciparum | 10669577 |
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Inhibitory activity against Plasmodium falciparum | 9357523 |
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 20382538 |
| Plasmodium falciparum | IC50 | = | 395.0 | nM | 6.4 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 20382538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420066 | 10.1021/jm0508843 | RBCs | 5 |
| 16420066 | 10.1021/jm0508843 | Phospholipase A2, major isoenzyme | 2 |
| 20382538 | 10.1016/j.bmc.2010.03.067 | Plasmodium falciparum | 2 |
| 10669577 | 10.1021/jm9911027 | Plasmodium falciparum | 1 |
| 9357523 | 10.1021/jm9701886 | Plasmodium falciparum | 1 |
| 16420066 | 10.1021/jm0508843 | Cryptococcus neoformans | 1 |
| 16420066 | 10.1021/jm0508843 | Candida albicans | 1 |
| 16420066 | 10.1021/jm0508843 | Phospholipase B | 1 |
| 20382538 | 10.1016/j.bmc.2010.03.067 | ADMET | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine