Details of the Drug

General Information of Drug (ID: DM1TG3C)

Drug Name
Oxamflatin
Synonyms
NSC729360; CHEBI:258842; I14-11718; NCGC00165855-01; (2E)-5-(3-(phenylsulfonylamino)phenyl)pent-2-ene-4-ynohydroxamic acid; (2E)-5-[3-(Phenylsulfonylamino)phenyl]pent-2-en-4-ynohydroxamic Acid; (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide; 151720-43-3
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Terminated [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.4
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H14N2O4S
IUPAC Name
(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C/C=C/C(=O)NO
InChI
InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+
InChIKey
QRPSQQUYPMFERG-LFYBBSHMSA-N
Cross-matching ID
PubChem CID
5353852
ChEBI ID
CHEBI:93779
CAS Number
151720-43-3
TTD ID
D03YVR
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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
Cytoplasmic polyadenylation element-binding protein 4 (CPEB4) OTW1SCZW CPEB4_HUMAN Gene/Protein Processing [3]
DmX-like protein 1 (DMXL1) OTWVL31L DMXL1_HUMAN Gene/Protein Processing [3]
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (DYRK3) OTX1C2GS DYRK3_HUMAN Gene/Protein Processing [3]
ELL-associated factor 2 (EAF2) OTSOET5L EAF2_HUMAN Gene/Protein Processing [3]
Enhancer of filamentation 1 (NEDD9) OTGCFN4M CASL_HUMAN Gene/Protein Processing [3]
Max-interacting protein 1 (MXI1) OTUQ9E0D MXI1_HUMAN Gene/Protein Processing [3]
PH and SEC7 domain-containing protein 3 (PSD3) OTTN9B9O PSD3_HUMAN Gene/Protein Processing [3]
Pre-mRNA-splicing factor RBM22 (RBM22) OTFW0IGK RBM22_HUMAN Gene/Protein Processing [3]
RING finger protein 24 (RNF24) OTUZI597 RNF24_HUMAN Gene/Protein Processing [3]
Solute carrier family 12 member 6 (SLC12A6) OT9CS413 S12A6_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) 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) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007547)
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 Development and validation of the TGx-HDACi transcriptomic biomarker to detect histone deacetylase inhibitors in human TK6 cells. Arch Toxicol. 2021 May;95(5):1631-1645. doi: 10.1007/s00204-021-03014-2. Epub 2021 Mar 26.