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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
2	Evidence that the fosfomycin target Cys115 in UDP-N-acetylglucosamine enolpyruvyl transferase (MurA) is essential for product release. J Biol Chem. 2005 Feb 4;280(5):3757-63.
3	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
4	Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
5	Sesquiterpene lactones are potent and irreversible inhibitors of the antibacterial target enzyme MurA. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5605-9.