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Compound Detail

CHEMBL3885028

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CCOC(=O)c1c2c(c(C)n1Cc1ccccc1)-c1oncc1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3885028
Phase Preclinical
Structure Type MOL
InChI Key OVCPHAPGIYHSLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.78
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.68
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 3
Heavy Atoms 25
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
27643641 10.1016/j.ejmech.2016.09.013 NON-PROTEIN TARGET 10

Data from ChEMBL 36 via Core Engine