Compound Detail
CHEMBL3325607
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 | CHEMBL3325607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVIYAQDUUGCJJB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
8
PK Parameters
8
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
2.90
ALogP
6
HBA
1
HBD
103.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium cynomolgi CHEMBL613883 | IC50 | 7.09 | 7.06 | 81.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5089.46 | ng.hr.mL-1 | Mus musculus |
| CL | 34.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 5200.0 | nM | Mus musculus |
| F | 51.9 | % | Mus musculus |
| T1/2 | 2.083 | hr | Mus musculus |
| T1/2 | 1.63 | hr | Mus musculus |
| T1/2 | 0.42 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium cynomolgi | IC50 | = | 81.0 | nM | 7.09 | Antiplasmodial activity against schizont liver stage Plasmodium cynomolgi | 25147620 |
| Plasmodium cynomolgi | IC50 | = | 94.0 | nM | 7.03 | Antiplasmodial activity against hypnozoite liver stage Plasmodium cynomolgi | 25147620 |
| Plasmodium falciparum | IC50 | = | 131.0 | nM | 6.88 | Antiplasmodial activity against schizont blood stage Plasmodium falciparum | 25147620 |
| Plasmodium yoelii | IC50 | = | 290.0 | nM | 6.54 | Antiplasmodial activity against blood stage schizont Plasmodium yoelii | 25147620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147620 | 10.1021/ml500244m | Mus musculus | 8 |
| 25147620 | 10.1021/ml500244m | Plasmodium cynomolgi | 2 |
| 25147620 | 10.1021/ml500244m | No relevant target | 1 |
| 25147620 | 10.1021/ml500244m | Plasmodium yoelii | 1 |
| 25147620 | 10.1021/ml500244m | Plasmodium falciparum | 1 |
| 25147620 | 10.1021/ml500244m | ADMET | 1 |
| 25147620 | 10.1021/ml500244m | Liver | 1 |
| 25147620 | 10.1021/ml500244m | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine