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Compound Detail

CHEMBL23975

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

Basic Information

ChEMBL ID CHEMBL23975
Phase Preclinical
Structure Type MOL
InChI Key DVNIRPKXKMIDQU-WOUKDFQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
-1.09
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N5O3S+
MW 312.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.03

Data from ChEMBL 36 via Core Engine