Compound Detail
CHEMBL4092763
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 | CHEMBL4092763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGMMQYNCJPNUIW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
2.15
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Plasmodium cynomolgi CHEMBL613883 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 42.03 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 2.871 | hr | Mus musculus |
| T1/2 | 90.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.4 | nM | 8.47 | Inhibition of Plasmodium vivax PI4K | 35978699 |
| Plasmodium cynomolgi | IC50 | = | 64.0 | nM | 7.19 | Antimalarial activity Plasmodium cynomolgi infected in rhesus monkey hepatocytes | 35978699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29185748 | 10.1021/acs.jmedchem.7b01537 | Liver | 3 |
| 35978699 | 10.1021/acsmedchemlett.2c00142 | ADMET | 2 |
| 35978699 | 10.1021/acsmedchemlett.2c00142 | Plasmodium falciparum | 1 |
| 35978699 | 10.1021/acsmedchemlett.2c00142 | Plasmodium cynomolgi | 1 |
| 35978699 | 10.1021/acsmedchemlett.2c00142 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine