CITARINOSTAT

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Search structure


Synonyms	ACY-241 Citarinostat HDAC-IN-2
Status
Molecule Category	Free-form
UNII	441P620G3P

Structure


InChI Key	VLIUIBXPEDFJRF-UHFFFAOYSA-N
Smiles	O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO
InChI	InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H26ClN5O3
Molecular Weight	467.96
AlogP	4.79
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	107.45
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I	-	12.5-318	-	-	-
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	-	2.21-3	-	-	-
Unclassified protein	-	154	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Danio rerio	-	154	-	-	-
Homo sapiens	-	2.21-900	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL3693786
DrugBank	DB15449
FDA SRS	441P620G3P
Guide to Pharmacology	9426
SureChEMBL	SCHEMBL2225863
ZINC	ZINC000098023187

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025