Compound Detail
CHEMBL48621
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 | CHEMBL48621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRQMXSMCFZGUCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
7.49
ALogP
3
HBA
4
HBD
84.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 3800.0 | nM | 5.42 | Cell toxicity was evaluated | 12781196 |
| Trypanosoma cruzi | IC50 | = | 13700.0 | nM | 4.86 | Inhibitory activity against Trypanosoma cruzi | 12781196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Leishmania donovani | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Nucleic Acid | 2 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Trypanosoma cruzi | 1 |
| 12781196 | 10.1016/s0960-894x(03)00319-6 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine