Compound Detail
CHEMBL3407532
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Basic Information
| ChEMBL ID | CHEMBL3407532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSCYLORZADVKQZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
2.60
ALogP
8
HBA
1
HBD
115.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.39 | 5.39 | 4060.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.47 | 4.47 | 34200.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.0 | 4.0 | 98800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 102.0 | nM | 6.99 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... | 25580906 |
| Trypanosoma brucei rhodesiense | IC50 | = | 4060.0 | nM | 5.39 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei rho... | 25580906 |
| Mycobacterium tuberculosis | IC50 | = | 34200.0 | nM | 4.47 | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 afte... | 28993106 |
| L6 | IC50 | = | 98800.0 | nM | 4.0 | Cytotoxicity against rat L6 cells assessed as growth inhibition after 72 hrs by ... | 25580906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28993106 | 10.1016/j.bmc.2017.09.037 | Mycobacterium tuberculosis | 7 |
| 25580906 | 10.1021/jm5015742 | Unchecked | 2 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma brucei rhodesiense | 1 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma cruzi | 1 |
| 25580906 | 10.1021/jm5015742 | L6 | 1 |
| 28993106 | 10.1016/j.bmc.2017.09.037 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine