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Compound Detail

CHEMBL178088

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C#CCN(CC#C)CCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178088
Phase Preclinical
Structure Type MOL
InChI Key ZMVYXZGHMFVZKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.75
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O
MW 282.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
15715470 10.1021/jm049207j Histone deacetylase 2

Data from ChEMBL 36 via Core Engine