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Compound Detail

CHEMBL129739

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Cn1ccnc1C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129739
Phase Preclinical
Structure Type MOL
InChI Key OFEAEGKDOQTGHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
5.30
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.36
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 C23H26N2O2
MW 362.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.75

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