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Compound Detail

CHEMBL126828

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O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126828
Phase Preclinical
Structure Type MOL
InChI Key VFHYDMNEUXCVFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
6.71
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25NO3
MW 399.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
14592473 10.1016/j.bmcl.2003.09.007 Histone deacetylase 1
18053726 10.1016/j.bmc.2007.11.015 Unchecked 1

Data from ChEMBL 36 via Core Engine