Compound Detail
CHEMBL4208600
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Basic Information
| ChEMBL ID | CHEMBL4208600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDDOPDDGERKZGF-SJFMBGHLSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
2.48
ALogP
4
HBA
3
HBD
96.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 12100.0 | nM | 4.92 | Trypanocidal activity against Trypanosoma cruzi Y intracellular amastigote form ... | 34095840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29054358 | 10.1016/j.bmcl.2017.10.002 | Cruzipain | 2 |
| 34095840 | 10.1039/d0md00097c | Trypanosoma cruzi | 2 |
| 34095840 | 10.1039/d0md00097c | Cruzipain | 1 |
| 34095840 | 10.1039/d0md00097c | LLC-MK2 | 1 |
| 34095840 | 10.1039/d0md00097c | U2OS | 1 |
| 34095840 | 10.1039/d0md00097c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine