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Compound Detail

CHEMBL524043

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CCCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL524043
Phase Preclinical
Structure Type MOL
InChI Key RSAYXWLOHLCKLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.20
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N4O2
MW 302.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.19

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