Details of the Drug

General Information of Drug (ID: DM2C6ZF)

Drug Name
PMID29671355-Compound-16
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.4
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H24N2O3
IUPAC Name
1'-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
Canonical SMILES
C1CC2(CCC3=C(C2)C=CC(=C3)C(=O)NO)C(=O)N(C1)CC4=CC=CC=C4
InChI
InChI=1S/C22H24N2O3/c25-20(23-27)18-7-8-19-14-22(11-9-17(19)13-18)10-4-12-24(21(22)26)15-16-5-2-1-3-6-16/h1-3,5-8,13,27H,4,9-12,14-15H2,(H,23,25)
InChIKey
PRTQLYSHPNDHIG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
122616384
TTD ID
D0TO3O

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.