Compound Detail
CHEMBL4226422
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4226422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJCQQONWDBOKKQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4300725 |
| Active Moiety | CHEMBL4300725 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.29
ALogP
3
HBA
2
HBD
75.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 310.0 | nM | 6.51 | Antimalarial activity against Plasmodium falciparum 3D7 asexual cultures grown u... | 29567345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29567345 | 10.1016/j.bmcl.2018.03.025 | Plasmodium falciparum | 1 |
| 29567345 | 10.1016/j.bmcl.2018.03.025 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
Data from ChEMBL 36 via Core Engine