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Compound Detail

CHEMBL494849

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COc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494849
Phase Preclinical
Structure Type MOL
InChI Key CAEAPEFQIXQAMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
2.44
ALogP
7
HBA
2
HBD
120.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5O2
MW 299.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
19231180 10.1016/j.bmcl.2009.02.003 P2X2/P2X3 heterotrimeric receptor 1
19231180 10.1016/j.bmcl.2009.02.003 P2X purinoceptor 3 1

Data from ChEMBL 36 via Core Engine