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Compound Detail

CHEMBL4102936

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CSC[C@H]1O[C@@H](n2cnc3c(N)nc(NN)nc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102936
Phase Preclinical
Structure Type MOL
InChI Key MCYCMMBXHUHLBY-KQYNXXCUSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
-1.32
ALogP
11
HBA
5
HBD
157.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17N7O3S
MW 327.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.27

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
28284860 10.1016/j.bmc.2017.02.016 Unchecked 3
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