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Compound Detail

CHEMBL153715

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COc1cc2nc(C(C)(C)C)cc(O)c2cc1-c1cnco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153715
Phase Preclinical
Structure Type MOL
InChI Key RSGFVDIYVOUFMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.90
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.78
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 C17H18N2O3
MW 298.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
12565968 10.1016/s0960-894x(02)00944-7 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine