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Compound Detail

CHEMBL571674

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Nc1ncnc2c([C@@H]3N[C@H](CSCCO)[C@@H](O)[C@H]3O)c[nH]c12

Basic Information

ChEMBL ID CHEMBL571674
Phase Preclinical
Structure Type MOL
InChI Key DTDFUHGOMSJFHK-KOMHVXODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
-1.00
ALogP
8
HBA
6
HBD
140.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N5O3S
MW 325.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
17954686 10.1128/aac.00480-07 Trypanosoma brucei brucei 4

Data from ChEMBL 36 via Core Engine