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Compound Detail

CHEMBL27189

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Cc1cccc(NC(=O)Nc2ccc3cnncc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27189
Phase Preclinical
Structure Type MOL
InChI Key WCAMMGAFUZDRAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.58
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O
MW 278.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
12657279 10.1016/s0960-894x(03)00107-0 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine