Details of the Drug

General Information of Drug (ID: DMAEPD4)

Drug Name
PMID29671355-Compound-15
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.4
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H22N2O5
IUPAC Name
N-hydroxy-5-(oxane-4-carbonyl)-2,3,4,6-tetrahydro-1,5-benzoxazocine-9-carboxamide
Canonical SMILES
C1CN(CC2=C(C=C(C=C2)C(=O)NO)OC1)C(=O)C3CCOCC3
InChI
InChI=1S/C17H22N2O5/c20-16(18-22)13-2-3-14-11-19(6-1-7-24-15(14)10-13)17(21)12-4-8-23-9-5-12/h2-3,10,12,22H,1,4-9,11H2,(H,18,20)
InChIKey
UIDRHDHNNBIRIS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
122439227
TTD ID
D0H5GP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 6 (HDAC6) TT5ZKDI HDAC6_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histone deacetylase 6 (HDAC6) DTT HDAC6 6.91E-02 0.27 0.79
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 HDAC inhibitors: a 2013-2017 patent survey.Expert Opin Ther Pat. 2018 Apr 19:1-17.