Details of the Drug

General Information of Drug (ID: DM5DKUY)

Drug Name
ISONIPECOTAMIDE
Synonyms
Piperidine-4-carboxamide; Isonipecotamide; 39546-32-2; 4-Piperidinecarboxamide; Hexahydroisonicotinamide; 4-carbamoylpiperidine; UNII-CZE2810T4X; CZE2810T4X; DPBWFNDFMCCGGJ-UHFFFAOYSA-N; Piperidine-4-carboxylic acid amide; MFCD00038012; 4-Piperdinecarboxamide; Isonipecotamide, 98%; piperidin-4-carboxamid; iso nipecotamide; iso-nipecotamide; Isonipecotinamide; Piperidine-4-carboxylicacidamide; NSC82318; EINECS 254-501-6; NSC 82318; ISONIPECTOAMIDE; ACMC-20aipw; PubChem9754; Isonipecotic acid amide; 4-piperidine-carboxamide
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) 128.169
Logarithm of the Partition Coefficient (xlogp) -1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C6H12N2O
IUPAC Name
piperidine-4-carboxamide
Canonical SMILES
C1CNCCC1C(=O)N
InChI
InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
InChIKey
DPBWFNDFMCCGGJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3772
ChEBI ID
CHEBI:166563
CAS Number
39546-32-2
TTD ID
D0H4MB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Integrin alpha-V (ITGAV) TTT1R2L ITAV_HUMAN Inhibitor [1]
ITGB3 messenger RNA (ITGB3 mRNA) TTJA1ZO ITB3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Piperidine-containing beta-arylpropionic acids as potent antagonists of alphavbeta3/alphavbeta5 integrins. Bioorg Med Chem Lett. 2004 Oct 18;14(20):5227-32.