Details of the Drug

General Information of Drug (ID: DMYEQXH)

Drug Name
N-(quinolin-3-yl)-6-(sulfamoylamino)hexanamide
Synonyms CHEMBL475714; N-(quinolin-3-yl)-6-(sulfamoylamino)hexanamide; SCHEMBL5458681
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.4
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H20N4O3S
IUPAC Name
N-quinolin-3-yl-6-(sulfamoylamino)hexanamide
Canonical SMILES
C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CCCCCNS(=O)(=O)N
InChI
InChI=1S/C15H20N4O3S/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,18H,1-2,5,8-9H2,(H,19,20)(H2,16,21,22)
InChIKey
HIRQWWZRMZTUFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44591342
TTD ID
D0XU0G

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

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 Sulfamides as novel histone deacetylase inhibitors. Bioorg Med Chem Lett. 2009 Jan 15;19(2):336-40.