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Compound Detail

CHEMBL1186628

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Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](C[S+](C)C)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186628
Phase Preclinical
Structure Type MOL
InChI Key WJNJBGFFPLUZIE-QYVSTXNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
-0.79
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.63
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 C13H20N5O3S+
MW 326.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine