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Compound Detail

CHEMBL28089

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COc1cc(NC(=O)C(=O)NNc2ccccc2)ccc1-c1cnco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28089
Phase Preclinical
Structure Type MOL
InChI Key NYZZSVPUPILAFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.43
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.48
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 C18H16N4O4
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.33

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