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Compound Detail

CHEMBL492969

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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492969
Phase Preclinical
Structure Type MOL
InChI Key PWQUCJDPDCDFOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.92
ALogP
8
HBA
3
HBD
120.7
PSA (Ų)
0.76
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 C17H22N6O2
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.06

Literature References

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

Data from ChEMBL 36 via Core Engine