Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3353059

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(NO)c1cc2n(c1)CCN(C(=O)c1cc3ccccc3[nH]1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353059
Phase Preclinical
Structure Type MOL
InChI Key GFROPCWHFDAEKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.74
ALogP
4
HBA
3
HBD
90.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O3
MW 324.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 6
CHEMBL1865
 IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 6 IC50 = 280.0 nM 6.55 Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduct... 25454270

Literature References

PubMed DOI Target Context # Activities
25454270 10.1016/j.bmcl.2014.10.022 Histone deacetylase 6 2
25454270 10.1016/j.bmcl.2014.10.022 Unchecked 1
25454270 10.1016/j.bmcl.2014.10.022 Histone deacetylase (HDAC1 and HDAC2) 1

Data from ChEMBL 36 via Core Engine