Details of the Drug

General Information of Drug (ID: DMU6OFP)

Drug Name

Dyclonine

Synonyms

Diclonia; Diclonina; Dyclocaine; Dyclocainum; Dyclonin; Dycloninum; Dyclothane; Tanaclone; Diclonina [INN-Spanish]; Dyclonine (INN); Dyclonine [INN:BAN]; Dycloninum [INN-Latin]; 1-(4-Butoxy-phenyl)-3-piperidin-1-yl-propan-1-one; 1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone; 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one; 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one; 1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-(9CI); 2-(1-piperidyl)ethyl p-butoxyphenyl ketone; 3-Piperidino-4'-butoxypropiophenone; 4'-Butoxy-3-piperidinopropiophenone; 4-butoxy-beta-piperidinopropiophenone; 4-n-butoxy-beta-(1-piperidyl)propiophenone

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Approved	[1]
Pruritus	EC90	Investigative	[2]
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Therapeutic Class

Anesthetics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

289.4

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 30 - 60 minutes [3]

Chemical Identifiers

Formula: C18H27NO2
IUPAC Name: 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI: InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChIKey: BZEWSEKUUPWQDQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3180
ChEBI ID: CHEBI:4724
CAS Number: 586-60-7
DrugBank ID: DB00645
TTD ID: D04QLR

Repurposed Drugs (RPD)

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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	[4]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[5]
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7173).
2	Dyclonine FDA Label
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Monoamine transporter and sodium channel mechanisms in the rapid pressor response to cocaine. Pharmacol Biochem Behav. 1998 Feb;59(2):305-12.
5	Profiling the Tox21 Chemical Collection for Acetylcholinesterase Inhibition. Environ Health Perspect. 2021 Apr;129(4):47008. doi: 10.1289/EHP6993. Epub 2021 Apr 12.
6	Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.