Compound Detail
CHEMBL4061466
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CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C[S+](C)[O-])O[C@H]1n1cnc2c(N)nc(Cl)nc21
Basic Information
| ChEMBL ID | CHEMBL4061466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVEMPEQBPCVFMD-JIZJOQGFSA-N |
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
0.20
ALogP
11
HBA
1
HBD
154.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28284860 | 10.1016/j.bmc.2017.02.016 | Unchecked | 4 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma brucei rhodesiense | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | L6 | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma cruzi | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Leishmania donovani | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine