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Compound Detail

CHEMBL3228714

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CC(=O)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(=S)[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3228714
Phase Preclinical
Structure Type MOL
InChI Key LRGHXUSGPMIFQL-WOUKDFQISA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
0.83
ALogP
10
HBA
2
HBD
137.8
PSA (Ų)
0.43
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 C12H13N4O7PS
MW 388.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.27

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
221658 10.1021/jm00193a012 S49 2

Data from ChEMBL 36 via Core Engine