Compound Detail
CHEMBL4446324
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 | CHEMBL4446324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNKKMJRVRSSQJC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
4.92
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
Kd 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.01 | 5.01 | 9723.0 | 1 |
| HSP90 CHEMBL1795086 | Kd | 4.59 | 4.59 | 25600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1130.0 | nM | 5.95 | Antimalarial activity against Plasmodium falciparum NF54 infected in human eryth... | 27312008 |
| L6 | IC50 | = | 9723.0 | nM | 5.01 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 27312008 |
| HSP90 | Kd | = | 25600.0 | nM | 4.59 | Binding affinity to recombinant Plasmodium falciparum Hsp90 expressed in Escheri... | 27312008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27312008 | 10.1021/acs.jmedchem.6b00591 | HSP90 | 2 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | L6 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine