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Compound Detail

CHEMBL63466

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COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cnc(C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63466
Phase Preclinical
Structure Type MOL
InChI Key XKENCHKSGWGOTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
5.06
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O3
MW 347.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.80

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