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Compound Detail

CHEMBL81384

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COc1cc(C2=Cc3ccccc3C3=NCCN23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81384
Phase Preclinical
Structure Type MOL
InChI Key ZNENOHIDSLSQCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.29
ALogP
5
HBA
0
HBD
43.3
PSA (Ų)
0.86
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 C20H20N2O3
MW 336.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
7830265 10.1021/jm00002a004 Abelson 8.1 3
7830265 10.1021/jm00002a004 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine