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Compound Detail

CHEMBL599169

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O=C(O)CCc1[nH]nc(-c2ccc(O)cc2O)c1-c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599169
Phase Preclinical
Structure Type MOL
InChI Key YTSMOADDTYREDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.05
ALogP
5
HBA
5
HBD
135.1
PSA (Ų)
0.37
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 C19H16N4O4
MW 364.36
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.37

Literature References

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

Data from ChEMBL 36 via Core Engine