Details of the Drug

General Information of Drug (ID: DMEADRK)

Drug Name
Hexylcaine
Synonyms
Hexilcaina; Hexylcainum; Osmocaine; Hexylcaine [INN]; Cyclaine (TN); Hexilcaina [INN-Spanish]; Hexylcainum [INN-Latin]; Osmocaine (TN); (2-Cyclohexylamino-1-methylethyl) benzoate; 1-(Cyclohexylamino)-2-propanol benzoate (ester); 1-(cyclohexylamino)propan-2-yl benzoate; 2-Propanol, 1-(cyclohexylamino)-, benzoate (ester)
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Approved [1]
Therapeutic Class
Anesthetics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 261.36
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in less than 10 minutes [2]
Metabolism
The drug is metabolized via plasma esterases []
Chemical Identifiers
Formula
C16H23NO2
IUPAC Name
1-(cyclohexylamino)propan-2-yl benzoate
Canonical SMILES
CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
InChIKey
DKLKMKYDWHYZTD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10770
ChEBI ID
CHEBI:34791
CAS Number
532-77-4
DrugBank ID
DB00473
TTD ID
D08MRN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated sodium channel alpha Nav1.5 (SCN5A) TTZOVE0 SCN5A_HUMAN Blocker [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.