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
Affected Organisms
Humans and other mammals
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
CHEMBL1197
CAS Number
532-77-4
UNII
511IU0826Z
DrugBank ID
DB00473
TTD ID
D08MRN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
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.