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

CHEMBL3693786

CITARINOSTAT
🧪 Phase II
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
🧪 Phase II
O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3693786
Name CITARINOSTAT
Phase Phase II
Structure Type MOL
InChI Key VLIUIBXPEDFJRF-UHFFFAOYSA-N

Known Names

ACY-241 Citarinostat HDAC-IN-2
24
Targets
95
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
3
Indications

Molecular Properties

468.0
MW (Da)
4.79
ALogP
6
HBA
3
HBD
107.5
PSA (Ų)
0.21
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -stat
USAN Year 2016

Extended Properties

Molecular Formula C24H26ClN5O3
MW 467.96
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.04

Indications

Melanoma Multiple Myeloma Neoplasms

Activity Summary

IC50 95 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 6
CHEMBL1865
 IC50 8.66 8.2547 2.2 19
Histone deacetylase 3
CHEMBL1829
 IC50 7.9 7.58 12.5 7
Histone deacetylase 1
CHEMBL325
 IC50 7.46 7.46 35.0 6
Histone deacetylase 2
CHEMBL1937
 IC50 7.35 6.9857 45.0 7
Histone deacetylase 8
CHEMBL3192
 IC50 6.86 6.8214 137.0 7
Unchecked
CHEMBL612545
 IC50 6.81 5.5815 154.0 13
Histone deacetylase 6
CHEMBL4739666
 IC50 6.81 6.81 154.0 1
BV-173
CHEMBL2366145
 IC50 6.05 6.05 900.0 1
MV4-11
CHEMBL613835
 IC50 5.92 5.896 1200.0 5
Jurkat
CHEMBL397
 IC50 5.92 5.92 1200.0 1
MM1.S
CHEMBL4296471
 IC50 5.82 5.7775 1520.0 4
MOLT-4
CHEMBL614177
 IC50 5.76 5.76 1720.0 1
HuT78
CHEMBL613978
 IC50 5.75 5.75 1780.0 1
RPMI-8226
CHEMBL614882
 IC50 5.5 5.3833 3160.0 3
U-266
CHEMBL2366315
 IC50 5.37 5.37 4300.0 1
SU-DHL-1
CHEMBL2366200
 IC50 5.34 5.34 4560.0 1
HUVEC
CHEMBL613979
 IC50 5.31 5.31 4860.0 3
Fibroblast
CHEMBL5314315
 IC50 5.24 5.185 5700.0 6
HeLa
CHEMBL399
 IC50 5.16 5.16 7000.0 1
Histone deacetylase 7
CHEMBL2716
 IC50 5.14 5.14 7300.0 3
OCI-AML-3
CHEMBL4296479
 IC50 5.11 5.11 7700.0 1
U-87 MG
CHEMBL614247
 IC50 5.04 5.04 9100.0 1
MOLM-13
CHEMBL3706572
 IC50 4.87 4.87 13500.0 1
L02
CHEMBL4296457
 IC50 4.82 4.82 15200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 6 IC50 = 2.21 nM 8.66 Inhibition of recombinant full length human HDAC6 expressed in SF9 baculovirus u... 32615502
Histone deacetylase 6 IC50 = 2.21 nM 8.66 Inhibition of full length human recombinant HDAC6 expressed in Sf9 baculovirus s... 35119267
Histone deacetylase 6 IC50 = 2.21 nM 8.66 Inhibition of recombinant full length human HDAC6 expressed in insect Sf9 cells ... 34101461
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 ... 37660484
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculov... 36399875
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of HDAC6 (unknown origin) 33035922
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of HDAC6 (unknown origin) 34619465
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of HDAC6 (unknown origin) 34974338
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 ... 33523672
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methoxy-co... 31655430
Histone deacetylase 6 IC50 = 2.6 nM 8.59 Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expresse... 31414801
Histone deacetylase 6 IC50 = 3.0 nM 8.52 Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 ... 32608981
Histone deacetylase 6 IC50 = 3.0 nM 8.52 Inhibition of HDAC6 (unknown origin) using fluorescence tripeptide as substrate ... 37902787
Histone deacetylase 6 IC50 = 4.0 nM 8.4 Inhibition of HDAC6 (unknown origin) 37797564
Histone deacetylase 6 IC50 = 4.0 nM 8.4 Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... -
Histone deacetylase 6 IC50 = 4.0 nM 8.4 Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c... -
Histone deacetylase 3 IC50 = 12.5 nM 7.9 Inhibition of recombinant full length human HDAC3 expressed in SF9 baculovirus u... 32615502
Histone deacetylase 3 IC50 = 12.5 nM 7.9 Inhibition of full length human recombinant HDAC3 expressed in Sf9 baculovirus s... 35119267
Histone deacetylase 3 IC50 = 12.5 nM 7.9 Inhibition of recombinant full length human HDAC3 expressed in insect Sf9 cells ... 34101461
Histone deacetylase 1 IC50 = 35.0 nM 7.46 Inhibition of HDAC1 (unknown origin) using FTS as substrate preincubated for 10 ... 37660484

Literature References

PubMed DOI Target Context # Activities
33576627 10.1021/acs.jmedchem.0c01922 MV4-11 16
37463038 10.1021/acs.jmedchem.3c00977 RPMI-8226 14
34101461 10.1021/acs.jmedchem.1c00420 Unchecked 10
35119267 10.1021/acs.jmedchem.1c01585 Unchecked 9
33576627 10.1021/acs.jmedchem.0c01922 Histone deacetylase 6 9
34101461 10.1021/acs.jmedchem.1c00420 MV4-11 5
32615502 10.1016/j.ejmech.2020.112411 Histone deacetylase 6 4
35119267 10.1021/acs.jmedchem.1c01585 MV4-11 3
37463038 10.1021/acs.jmedchem.3c00977 ADMET 3
30092367 10.1016/j.ejmech.2018.07.069 Unchecked 3
35119267 10.1021/acs.jmedchem.1c01585 Histone deacetylase 6 3
34101461 10.1021/acs.jmedchem.1c00420 Histone deacetylase 6 3
32615502 10.1016/j.ejmech.2020.112411 Unchecked 2
32615502 10.1016/j.ejmech.2020.112411 Fibroblast 2
33576627 10.1021/acs.jmedchem.0c01922 Unchecked 2
34101461 10.1021/acs.jmedchem.1c00420 Histone deacetylase 1 2
35119267 10.1021/acs.jmedchem.1c01585 ADMET 2
32615502 10.1016/j.ejmech.2020.112411 MV4-11 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
35119267 10.1021/acs.jmedchem.1c01585 Fibroblast 2

Data from ChEMBL 36 via Core Engine