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Compound Detail

CHEMBL63501

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Cc1nc(C)c(-c2ccc(Nc3ncc(-c4ccccc4)o3)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63501
Phase Preclinical
Structure Type MOL
InChI Key PASDMUUHJKHCHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
5.36
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O2
MW 331.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.72

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