Compound Detail
CHEMBL3799415
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C[C@H]1O[C@@H](n2cnc3c(N)nc(N=[N+]=[N-])nc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3799415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMMCICZPJVZFLX-UUOKFMHZSA-N |
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
-0.01
ALogP
9
HBA
3
HBD
168.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28284860 | 10.1016/j.bmc.2017.02.016 | Unchecked | 3 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Plasmodium falciparum | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | L6 | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Unchecked | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma brucei rhodesiense | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma cruzi | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine