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Compound Detail

CHEMBL492788

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COc1cc(C(=O)c2cnc(N)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492788
Phase Preclinical
Structure Type MOL
InChI Key PUNZBSLUOYSTIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.01
ALogP
7
HBA
2
HBD
113.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O3
MW 316.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.38

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