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Compound Detail

CHEMBL332758

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Cc1ccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332758
Phase Preclinical
Structure Type MOL
InChI Key JNJZVIQGIMXLNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.76
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O
MW 328.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
14505670 10.1016/s0960-894x(03)00757-1 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine