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Compound Detail

CHEMBL4075512

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Cc1cc(OCC2CCOCC2)c2c(N)nc(N)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075512
Phase Preclinical
Structure Type MOL
InChI Key VCLWODHDVNXCLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
1.91
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.90
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 C15H20N4O2
MW 288.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
28257199 10.1021/acs.jmedchem.7b00124 m7GpppX diphosphatase 1

Data from ChEMBL 36 via Core Engine