Details of the Drug

General Information of Drug (ID: DM4LNBQ)

Drug Name
Pyroxamide
Synonyms
POLAR HYBRID COMPOUND; Suberoyl-3-aminopyridineamide hydroxamic acid; N-Hydroxy-N'-3-pyridinyloctanediamide; N'-hydroxy-N-pyridin-3-yloctanediamide; N-hydroxy-n'-(pyridin-3-yl)octanediamide; N-Hydroxy-N'-(3-pyridyl)-1,8-octanediamide
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 265.31
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H19N3O3
IUPAC Name
N'-hydroxy-N-pyridin-3-yloctanediamide
Canonical SMILES
C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)
InChIKey
PTJGLFIIZFVFJV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4996
ChEBI ID
CHEBI:93953
CAS Number
382180-17-8
DrugBank ID
DB12847
TTD ID
D0N3SH
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018698)
2 Histone deacetylase inhibitors in cancer therapy: latest developments, trends and medicinal chemistry perspective. Anticancer Agents Med Chem. 2007 Sep;7(5):576-92.