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Compound Detail

CHEMBL28687

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Nc1ccc2cnccc2c1

Basic Information

ChEMBL ID CHEMBL28687
Phase Preclinical
Structure Type MOL
InChI Key NGFCTYXFMDWFRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

144.2
MW (Da)
1.82
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N2
MW 144.18
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.62

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