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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: 511IU0826Z
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.