Details of the Drug

General Information of Drug (ID: DMOZARM)

Drug Name
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
Synonyms CHEMBL511212; N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide; BDBM50258645
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) 347.4
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H21N3O3S
IUPAC Name
N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide
Canonical SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C17H21N3O3S/c21-15(10-6-1-2-7-11-16(22)20-23)19-17-18-14(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,22)(H,18,19,21)
InChIKey
BDTAPZUZFJRPNM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10383069
TTD ID
D0YP4F

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 [1]
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 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 Isoxazole moiety in the linker region of HDAC inhibitors adjacent to the Zn-chelating group: effects on HDAC biology and antiproliferative activity. Bioorg Med Chem Lett. 2009 Jun 1;19(11):3023-6.