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Compound Detail

CHEMBL33689

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Nc1ccc(OCCn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33689
Phase Preclinical
Structure Type MOL
InChI Key AFRDTKWHTKFULR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
1.54
ALogP
4
HBA
1
HBD
53.1
PSA (Ų)
0.77
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 C11H13N3O
MW 203.25
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
3930740 10.1021/jm00148a009 Thromboxane-A synthase 1

Data from ChEMBL 36 via Core Engine