Compound Detail
CHEMBL172137
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 | CHEMBL172137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJPBNUIPWOHEAC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
4.95
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.62 | 4.62 | 23800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2200.0 | nM | 5.66 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 11300877 |
| ADMET | IC50 | = | 6500.0 | nM | 5.19 | In vitro cell survival assay on cancer KB cell lines | 11300877 |
| L6 | IC50 | = | 23800.0 | nM | 4.62 | In vitro cytotoxicity against L6 cells | 11300877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300877 | 10.1021/jm0010419 | Plasmodium falciparum | 2 |
| 11300877 | 10.1021/jm0010419 | ADMET | 1 |
| 11300877 | 10.1021/jm0010419 | L6 | 1 |
Data from ChEMBL 36 via Core Engine