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Compound Detail

CHEMBL195660

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CCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195660
Phase Preclinical
Structure Type MOL
InChI Key HMXHURAGFHWODC-WOUKDFQISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
-0.22
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O3S
MW 311.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.58

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17954686 10.1128/aac.00480-07 Trypanosoma brucei brucei 4
15911263 10.1016/j.bmcl.2005.03.107 S-methyl-5'-thioadenosine phosphorylase 3
17954686 10.1128/aac.00480-07 Unchecked 3

Data from ChEMBL 36 via Core Engine