Details of the Drug

General Information of Drug (ID: DMYQH2N)

Drug Name
Cyclohexylammonium Ion
Synonyms
CYCLOHEXYLAMMONIUM ION; cyclohexylammonium; cyclohexylazanium; cyclohexanaminium; Cyclohexaniminium; cyclohexyl-ammonium; cyclohexyl ammonium; AC1LU7QN; SAMPL4, C7; CHEBI:42939; PAFZNILMFXTMIY-UHFFFAOYSA-O; BDBM197294; DB02995; NCGC00249017-01; CJ-13833; A801941
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) 100.18
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C6H14N+
IUPAC Name
cyclohexylazanium
Canonical SMILES
C1CCC(CC1)[NH3+]
InChI
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
InChIKey
PAFZNILMFXTMIY-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
1549093
ChEBI ID
CHEBI:42939
DrugBank ID
DB02995
TTD ID
D0G2MM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial UDP-N-acetylglucosamine carboxyvinyltransferase (Bact murA) TTICX3S MURA_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.