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Compound Detail

CHEMBL495370

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COc1cc(Cc2cnc(N)nc2N)c(C(C)(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495370
Phase Preclinical
Structure Type MOL
InChI Key CGQOAPADKHJRND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.90
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 C17H24N4O2
MW 316.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.01

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