Compound Detail
CHEMBL1094185
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 | CHEMBL1094185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMGPKOTVWBKUTD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.0
MW (Da)
5.67
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.1
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 0.8 | nM | 9.1 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 20429511 |
| Unchecked | IC50 | = | 1870.0 | nM | 5.73 | Inhibition of rat recombinant PFT expressed in insect Sf9 cells by scintillation... | 20429511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20429511 | 10.1021/jm9013136 | Unchecked | 1 |
| 20429511 | 10.1021/jm9013136 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine