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Compound Detail

CHEMBL62691

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CNc1nc(Nc2ccc(-c3ocnc3C)cc2)nc(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62691
Phase Preclinical
Structure Type MOL
InChI Key YHSNVQMFQHKPPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.29
ALogP
7
HBA
2
HBD
88.8
PSA (Ų)
0.55
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 C20H18N6O
MW 358.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
12781195 10.1016/s0960-894x(03)00258-0 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine