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Compound Detail

CHEMBL603599

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CSc1nc(N)c2nnn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603599
Phase Preclinical
Structure Type MOL
InChI Key GSURKYBJSNQBMZ-LZGMGDPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
-1.86
ALogP
11
HBA
4
HBD
152.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N6O4S
MW 314.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
6620307 10.1021/jm00364a023 HEp-2 1

Data from ChEMBL 36 via Core Engine