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
CHEMBL42939
DrugBank ID
DB02995
TTD ID
D0G2MM
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.