Details of the Drug

General Information of Drug (ID: DM9JZ21)

Drug Name

Scriptaid

Synonyms

CGK1026; IN1099; SB-556629; GNF-PF-2024; N-Hydroxy-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexan amide; 6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid hydroxyamide; 6-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-hydroxyhexanamide; 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

326.3

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H18N2O4
IUPAC Name: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
Canonical SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO
InChI: InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5186
ChEBI ID: CHEBI:92401
CAS Number: 287383-59-9
TTD ID: D0J8OC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Anaphase-promoting complex subunit 1 (ANAPC1)	OT2YY35L	APC1_HUMAN	Gene/Protein Processing	[3]
Anillin (ANLN)	OTXJY54C	ANLN_HUMAN	Gene/Protein Processing	[3]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Protein Interaction/Cellular Processes	[4]
Catenin beta-1 (CTNNB1)	OTZ932A3	CTNB1_HUMAN	Gene/Protein Processing	[3]
Cathepsin D (CTSD)	OTQZ36F3	CATD_HUMAN	Gene/Protein Processing	[3]
Cathepsin O (CTSO)	OTFL6VRO	CATO_HUMAN	Gene/Protein Processing	[3]
Caveolin-1 (CAV1)	OTEZUR1L	CAV1_HUMAN	Gene/Protein Processing	[3]
CD82 antigen (CD82)	OTH8MC64	CD82_HUMAN	Gene/Protein Processing	[3]
Cell division control protein 6 homolog (CDC6)	OTX93FE7	CDC6_HUMAN	Gene/Protein Processing	[3]
Centrin-2 (CETN2)	OTJTTGS0	CETN2_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 1 (HDAC1)	DTT	HDAC1	6.27E-01	0.11	0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7505).
2	Histone deacetylase inhibitors in cancer therapy: latest developments, trends and medicinal chemistry perspective. Anticancer Agents Med Chem. 2007 Sep;7(5):576-92.
3	Histone deacetylase inhibitor scriptaid induces cell cycle arrest and epigenetic change in colon cancer cells. Int J Oncol. 2008 Oct;33(4):767-76.
4	Enrichment of Nur77 mediated by retinoic acid receptor leads to apoptosis of human hepatocellular carcinoma cells induced by fenretinide and histone deacetylase inhibitors. Hepatology. 2011 Mar;53(3):865-74. doi: 10.1002/hep.24101. Epub 2011 Feb 11.