Compound Detail
CHEMBL4214479
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Basic Information
| ChEMBL ID | CHEMBL4214479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXGYNRHXNNSAIM-FCVRUTMISA-M |
| Parent Compound | CHEMBL4300902 |
| Active Moiety | CHEMBL4300902 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
2.81
ALogP
3
HBA
2
HBD
87.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.58 | 4.58 | 26100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 26100.0 | nM | 4.58 | Growth inhibition of Plasmodium falciparum 3D7 asynchronous cultures by PicoGree... | 30192536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30192536 | 10.1021/acs.jmedchem.8b01026 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic | 2 |
| 30192536 | 10.1021/acs.jmedchem.8b01026 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine