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Compound Detail

CHEMBL3938741

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Oc1ccccc1CC1CCCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3938741
Phase Preclinical
Structure Type MOL
InChI Key UULQDGKDXPBJKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.3
MW (Da)
1.93
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17NO
MW 191.27
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
27537923 10.1016/j.ejmech.2016.07.053 Myeloperoxidase 1
27537923 10.1016/j.ejmech.2016.07.053 Unchecked 1

Data from ChEMBL 36 via Core Engine