Details of the Drug

General Information of Drug (ID: DM2RKD6)

Drug Name
2,2-bis(4-chlorophenyl)-N-hydroxyacetamide
Synonyms CHEMBL572805; 2,2-bis(4-chlorophenyl)-N-hydroxyacetamide; SCHEMBL2848402
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) 296.1
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H11Cl2NO2
IUPAC Name
2,2-bis(4-chlorophenyl)-N-hydroxyacetamide
Canonical SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)NO)Cl
InChI
InChI=1S/C14H11Cl2NO2/c15-11-5-1-9(2-6-11)13(14(18)17-19)10-3-7-12(16)8-4-10/h1-8,13,19H,(H,17,18)
InChIKey
MITRLTIJDHOUFN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45482643
TTD ID
D0PK9V

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase (HDAC) TTBH0VX NOUNIPROTAC Inhibitor [1]
Histone deacetylase 4 (HDAC4) TTTQGH8 HDAC4_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 4 (HDAC4) DTT HDAC4 3.51E-03 1.95 1.48
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5684-8.