Compound Detail
CHEMBL1939234
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 | CHEMBL1939234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWHIUFKPGGIYNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
3.49
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of Plasmodium falciparum DHFR assessed as oxidation of NADPH to NADP+... | 22192590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22192590 | 10.1016/j.bmcl.2011.12.011 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine