Compound Detail
CHEMBL4856014
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Basic Information
| ChEMBL ID | CHEMBL4856014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPDIXWCALDHDIS-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
2.07
ALogP
6
HBA
0
HBD
87.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.4 | 5.6283 | 400.0 | 6 |
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 84700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 400.0 | nM | 6.4 | Trypanocidal activity against Trypanosoma cruzi amastigotes assessed as inhibiti... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 1200.0 | nM | 5.92 | Trypanocidal activity against Trypanosoma cruzi epimastigotes assessed as inhibi... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 2200.0 | nM | 5.66 | Antiprotozoal activity against Trypanosoma cruzi epimastigotes assessed as inhib... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 3300.0 | nM | 5.48 | Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BSR ... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 5400.0 | nM | 5.27 | Trypanocidal activity against Trypanosoma cruzi trypomastigotes assessed as inhi... | 34182359 |
| Trypanosoma cruzi | IC50 | = | 9100.0 | nM | 5.04 | Antitrypanosomal activity against Trypanosoma cruzi trypomastigotes assessed as ... | 34182359 |
| Unchecked | IC50 | = | 84700.0 | nM | 4.07 | Cytotoxicity against golden hamster BSR cells assessed as reduction in cell viab... | 34182359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34182359 | 10.1016/j.ejmech.2021.113646 | Trypanosoma cruzi | 15 |
| 34182359 | 10.1016/j.ejmech.2021.113646 | ADMET | 4 |
| 34182359 | 10.1016/j.ejmech.2021.113646 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine