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Compound Detail

CHEMBL185694

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Cc1nn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185694
Phase Preclinical
Structure Type MOL
InChI Key QPIYVWIBRVXHHI-RRKCRQDMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
-1.11
ALogP
8
HBA
3
HBD
114.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H14N4O3S
MW 258.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
15481985 10.1021/jm049806q HEL 6
15481985 10.1021/jm049806q E6SM 5
15481985 10.1021/jm049806q ADMET 2

Data from ChEMBL 36 via Core Engine