Compound Detail
CHEMBL4084546
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 | CHEMBL4084546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPCFMFRXWLMYQD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
4.97
ALogP
5
HBA
1
HBD
70.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.16 | 6.09 | 700.0 | 2 |
| CHO CHEMBL613853 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 700.0 | nM | 6.16 | Anti-plasmodial activity against multidrug resistant Plasmodium falciparum K1 by... | 28094524 |
| Plasmodium falciparum | IC50 | = | 950.0 | nM | 6.02 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| CHO | IC50 | = | 15800.0 | nM | 4.8 | Cytotoxicity against CHO cells after by MTT assay | 28094524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Plasmodium falciparum | 2 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | No relevant target | 2 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Liver | 2 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | CHO | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine