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Compound Detail

CHEMBL338622

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O=P(O)(O)C(O)(Cn1ccnn1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338622
Phase Preclinical
Structure Type MOL
InChI Key ZWAYHCQTBDFZJN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.1
MW (Da)
-1.72
ALogP
6
HBA
5
HBD
166.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H9N3O7P2
MW 273.08
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.82

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
14711309 10.1021/jm0303709 Unchecked 2

Data from ChEMBL 36 via Core Engine