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Compound Detail

CHEMBL282697

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CCCNC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282697
Phase Preclinical
Structure Type MOL
InChI Key IGTHRIOFORHSFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.81
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.82
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 C15H17N3O4
MW 303.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
11965381 10.1016/s0960-894x(02)00132-4 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine