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Compound Detail

CHEMBL599170

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CCc1c(C(=O)N/N=C/c2ccc(O)cc2O)nnn1-c1nonc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599170
Phase Preclinical
Structure Type MOL
InChI Key XAILJXYJSGIJLI-OMCISZLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.3
MW (Da)
-0.03
ALogP
11
HBA
4
HBD
177.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N8O4
MW 358.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.96

Literature References

PubMed DOI Target Context # Activities
20045642 10.1016/j.bmcl.2009.12.060 Unchecked 1

Data from ChEMBL 36 via Core Engine