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Compound Detail

CHEMBL4102384

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Cc1cc(COc2cc(F)cc(C#N)c2)c2c(N)nc(N)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102384
Phase Preclinical
Structure Type MOL
InChI Key TVWXRWYOJQHCMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
2.69
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.77
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 C17H14FN5O
MW 323.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
28257199 10.1021/acs.jmedchem.7b00124 m7GpppX diphosphatase 1

Data from ChEMBL 36 via Core Engine