Compound Detail
CHEMBL3329511
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Basic Information
| ChEMBL ID | CHEMBL3329511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIEBXAOFFZLTDB-UFWORHAWSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
4.96
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.98 | 5.8 | 1047.1 | 4 |
| HepG2 CHEMBL395 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1050.0 | nM | 5.98 | Antitrypanosomal activity against intracellular amastigotes stage of recombinant... | 26964673 |
| Trypanosoma cruzi | IC50 | = | 1047.13 | nM | 5.98 | Antitrypanosomal activity against intracellular amastigotes stage of recombinant... | 26964673 |
| Trypanosoma cruzi | IC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against trypomastigote forms of Trypanosoma cruzi Y in... | 25147146 |
| Trypanosoma cruzi | IC50 | = | 4800.0 | nM | 5.32 | Trypanocidal activity against epimastigote forms of Trypanosoma cruzi Y assessed... | 25147146 |
| HepG2 | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against human HepG2 cells after 48 hrs by | 25147146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147146 | 10.1016/j.ejmech.2014.08.012 | Trypanosoma cruzi | 2 |
| 25147146 | 10.1016/j.ejmech.2014.08.012 | Cruzipain | 2 |
| 26964673 | 10.1016/j.bmc.2016.02.027 | Trypanosoma cruzi | 2 |
| 25147146 | 10.1016/j.ejmech.2014.08.012 | HepG2 | 1 |
| 26964673 | 10.1016/j.bmc.2016.02.027 | HepG2 | 1 |
| 26964673 | 10.1016/j.bmc.2016.02.027 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine