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Compound Detail

CHEMBL3753728

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CCOC(=O)c1cc2c(nc1-c1ccccc1)-c1ccccc1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753728
Phase Preclinical
Structure Type MOL
InChI Key XWYKULABXJKCEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.08
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO2
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
26748696 10.1016/j.bmcl.2015.12.078 THP-1 2
26748696 10.1016/j.bmcl.2015.12.078 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine