Compound Detail
CHEMBL3342753
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Basic Information
| ChEMBL ID | CHEMBL3342753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIBCTGLJAQYMCY-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.58
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.06 | 4.06 | 87900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2200.0 | nM | 5.66 | Antitrypanosomal activity against LacZ expressing Trypanosoma cruzi Tuluhaen C2C... | 25314007 |
| L6 | IC50 | = | 22100.0 | nM | 4.66 | Cytotoxicity against rat L6 cells | 25314007 |
| Trypanosoma brucei rhodesiense | IC50 | = | 87900.0 | nM | 4.06 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 trypoma... | 25314007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Candida albicans | 2 |
| 25314007 | 10.1021/np5006554 | Trypanosoma brucei rhodesiense | 1 |
| 25314007 | 10.1021/np5006554 | Trypanosoma brucei brucei | 1 |
| 25314007 | 10.1021/np5006554 | Trypanosoma cruzi | 1 |
| 25314007 | 10.1021/np5006554 | L6 | 1 |
| 25314007 | 10.1021/np5006554 | Unchecked | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Candida parapsilosis | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Escherichia coli | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Saccharomyces cerevisiae | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Candida tropicalis | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Pichia kudriavzevii | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Nakaseomyces glabratus | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Pseudomonas aeruginosa | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Staphylococcus aureus | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | HeLa | 1 |
| 26848627 | 10.1021/acs.jnatprod.5b00896 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine