Details of the Drug

General Information of Drug (ID: DMUWTPX)

Drug Name
4-tert-butyl-N-hydroxybenzamide
Synonyms
4-tert-butyl-N-hydroxybenzamide; 62034-73-5; CHEMBL249284; Benzamide, 4-(1,1-dimethylethyl)-N-hydroxy-; p-tert-butyl benzohydroxamic acid; Oprea1_740446; SCHEMBL5696343; 4-tert-Butylbenzhydroxamic Acid; 4-tert-Butylbenzohydroxamic acid; CTK2C8432; DTXSID80613051; BDBM50215019; 4-(tert-butyl )-benzhydroxamic acid; ZINC19478595; AKOS000181279
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) 193.24
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H15NO2
IUPAC Name
4-tert-butyl-N-hydroxybenzamide
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NO
InChI
InChI=1S/C11H15NO2/c1-11(2,3)9-6-4-8(5-7-9)10(13)12-14/h4-7,14H,1-3H3,(H,12,13)
InChIKey
HVTKRCPHQXJOFW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21397854
CAS Number
62034-73-5
TTD ID
D03FOD

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]
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 Design of novel histone deacetylase inhibitors. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4619-24.