Details of the Drug

General Information of Drug (ID: DM7DNOG)

Drug Name
SK-7041
Synonyms IN-2001; 4-(dimethylamino)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 339.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H21N3O3
IUPAC Name
4-(dimethylamino)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide
Canonical SMILES
CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)/C=C/C(=O)NO
InChI
InChI=1S/C19H21N3O3/c1-22(2)17-10-8-16(9-11-17)19(24)20-13-15-5-3-14(4-6-15)7-12-18(23)21-25/h3-12,25H,13H2,1-2H3,(H,20,24)(H,21,23)/b12-7+
InChIKey
WWMASNYTEATYTC-KPKJPENVSA-N
Cross-matching ID
PubChem CID
6918714
ChEBI ID
CHEMBL152133
TTD ID
D0UL5X
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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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Gene/Protein Processing [3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [3]
G1/S-specific cyclin-D2 (CCND2) OTDULQF9 CCND2_HUMAN Gene/Protein Processing [3]
Histone H4 (H4C1) OTB71W46 H4_HUMAN Post-Translational Modifications [3]
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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) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Class I histone deacetylase-selective novel synthetic inhibitors potently inhibit human tumor proliferation. Clin Cancer Res. 2004 Aug 1;10(15):5271-81.
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 SK-7041, a new histone deacetylase inhibitor, induces G2-M cell cycle arrest and apoptosis in pancreatic cancer cell lines. Cancer Lett. 2006 Jun 8;237(1):143-54. doi: 10.1016/j.canlet.2005.05.040. Epub 2005 Jul 11.