EcoDrugPlus


Trade Names	ZOLINZA
Synonyms	MK-0683 MK0683 NSC-701852 NSC-748799 NSC-759852 Suberoylanilide hydroxamic acid Vorinostat Zolinza
Status
Molecule Category	Free-form
ATC	L01XH01
UNII	58IFB293JI
EPA CompTox	DTXSID6041133

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	WAEXFXRVDQXREF-UHFFFAOYSA-N
Smiles	O=C(CCCCCCC(=O)Nc1ccccc1)NO
InChI	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H20N2O3
Molecular Weight	264.32
AlogP	2.47
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	78.43
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	19.0

Mechanism of Action	Action	Reference
Histone deacetylase 1 inhibitor	INHIBITOR	DailyMed
Histone deacetylase 2 inhibitor	INHIBITOR	DailyMed
Histone deacetylase 3 inhibitor	INHIBITOR	DailyMed
Histone deacetylase 6 inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2	-	-	-	-	14-25
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19	-	-	-	-	14-69
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9	-	-	-	-	28
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6	-	-	-	-	8-25
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4	-	-	-	-	35
Enzyme Hydrolase	-	-	300	-	-
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily	-	-	-	-	2.9
Enzyme Kinase Protein Kinase CMGC protein kinase group	-	-	-	-	-5.8-0.8
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family	-	900	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family	-	-	-	-	2.8
Enzyme	-	50-50.12	300	131.83-131.83	85-85
Epigenetic regulator Eraser Histone deacetylase HDAC class I	180-550	1.4-980	40-580	1.3-700	10.7-850
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa	180-550	10-980	-	16-129	0-100
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	21.7-550	1.4-982	300	1-126	34-100
Epigenetic regulator Eraser Histone deacetylase HDAC class IV	180-550	10-980	-	13-60	10-100
Epigenetic regulator Reader Bromodomain	-	10-740	-	-	2-88
Epigenetic regulator Writer Histone acetyltransferase SRC family	-	9.8-53.89	-	9.9-12	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	322	-	-	18
Membrane receptor	-	-	-	-	0
Other cytosolic protein	-	-	-	-	-5.8-2.9
Unclassified protein	-	9.7-350	-	2-22	99

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Alcaligenaceae bacterium FB188	-	22	-	-	-
Bordetella	-	-	300	-	-
Chlorocebus sabaeus	-	900	-	-	-
Giardia intestinalis	-	56	-	-	-
Hepatitis C virus	560	-	-	-	-
Hepatitis C virus subtype 1b	360	-	-	-	-
Homo sapiens	21.7-940	0.52-984.9	40-580	1-700	-23-850
Human immunodeficiency virus 1	600	-	-	-	-
Mus musculus	950	110-990	-	67.61	6.34-85
Plasmodium berghei	-	140-290	-	-	-
Plasmodium berghei ANKA	-	7.7-150	-	-	-
Plasmodium falciparum	-	59-900	-	-	-
Plasmodium falciparum 3D7	-	100-210	-	-	-
Plasmodium falciparum Dd2	-	120-260	-	-	-
Plasmodium falciparum FcB1/Columbia	-	820	-	-	-
Plasmodium falciparum HB3	-	950	-	-	-
Plasmodium falciparum NF54	-	25-810	-	-	-
Plasmodium falciparum VS/1	-	725	-	-	-
Plasmodium vivax	-	147-170	-	-	-
Pseudomonas aeruginosa	-	-	-	14-320	-
Rattus norvegicus	-	165-440	-	-	34-96
Schistosoma mansoni	-	590	-	-	-
Toxoplasma gondii	-	83	-	-	-
Zea mays	-	28-200	-	131.83-131.83	-

Target Conservation


Protein: Histone deacetylase 3 Description: Histone deacetylase 3 Organism : Homo sapiens O15379 ENSG00000171720












Protein: Histone deacetylase 1 Description: Histone deacetylase 1 Organism : Homo sapiens Q13547 ENSG00000116478












Protein: Histone deacetylase 2 Description: Histone deacetylase 2 Organism : Homo sapiens Q92769 ENSG00000196591













Protein: Histone deacetylase 6 Description: Histone deacetylase 6 Organism : Homo sapiens Q9UBN7 ENSG00000094631

Cross References

Resources	Reference
CAS NUMBER	149647-78-9
ChEBI	45716
ChEMBL	CHEMBL98
DrugBank	DB02546
DrugCentral	4124
FDA SRS	58IFB293JI
Human Metabolome Database	HMDB0015568
Guide to Pharmacology	6852
KEGG	D06320
PDB	SHH
PharmGKB	PA164748224
PubChem	5311
SureChEMBL	SCHEMBL9018
ZINC	ZINC000001543873

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026

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Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References