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Compound Detail

CHEMBL100537

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CC(C)(OCCn1cnc2c(O)nc(N)nc21)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100537
Phase Preclinical
Structure Type MOL
InChI Key TUKZYHNRKYFOMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.2
MW (Da)
0.04
ALogP
8
HBA
4
HBD
156.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N5O5P
MW 317.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
1323678 10.1021/jm00094a005 Vero 2

Data from ChEMBL 36 via Core Engine