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Compound Detail

CHEMBL492787

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

Basic Information

ChEMBL ID CHEMBL492787
Phase Preclinical
Structure Type MOL
InChI Key MXKBJDXIQUUHLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.86
ALogP
7
HBA
3
HBD
116.5
PSA (Ų)
0.77
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 C16H22N4O3
MW 318.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.02

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