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Compound Detail

CHEMBL4162010

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CCCCN(C(=O)Nc1cccc(N(C)C)c1)c1ccc(C(=O)NO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162010
Phase Preclinical
Structure Type MOL
InChI Key QFJUEJZAEGOVJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.71
ALogP
4
HBA
3
HBD
84.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O3
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 6
CHEMBL1865
 IC50 5.75 5.75 1790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 6 IC50 = 1790.0 nM 5.75 Inhibition of recombinant human full length HDAC6 expressed in baculovirus infec... 29057046

Literature References

PubMed DOI Target Context # Activities
29057046 10.1021/acsmedchemlett.7b00223 Histone deacetylase 1 1
29057046 10.1021/acsmedchemlett.7b00223 Histone deacetylase 6 1
29057046 10.1021/acsmedchemlett.7b00223 Unchecked 1

Data from ChEMBL 36 via Core Engine