Details of the Drug

General Information of Drug (ID: DM584TM)

Drug Name

Butacaine

Synonyms

Butacaine sulfate; Butelline; Butyn; 149-15-5; Butacaine sulphate; Butacaine sulfate [USP]; UNII-PAU39W3CVB; EINECS 205-733-1; PAU39W3CVB; p-Aminobenzoyldibutylaminopropanol sulfate; Dibutylaminopropyl p-aminobenzoate sulfate; AI3-02405; 3'-Dibutylaminopropyl 4-aminobenzoate sulfate; 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester), sulfate (2:1) (salt); 3-(p-Aminobenzoxy)-1-di-N-butylaminopropane sulfate; 3-(Dibutylamino)-1-propanol p-aminobenzoate (ester) sulfate (2:1)

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

306.4

Topological Polar Surface Area (xlogp)

4.5

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H30N2O2
IUPAC Name: 3-(dibutylamino)propyl 4-aminobenzoate
Canonical SMILES: CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N
InChI: InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKey: HQFWVSGBVLEQGA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2480
ChEBI ID: CHEBI:94820
CAS Number: 149-16-6
DrugBank ID: DB11502
TTD ID: D06ORU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Modulator	[2], [1]

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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	WO patent application no. 2008,0857,11, Synergy of sodium channel blockers and calcium channel blockers.
3	Lacosamide: a new approach to target voltage-gated sodium currents in epileptic disorders. CNS Drugs. 2009;23(7):555-68.
4	Sidedness of carbamazepine accessibility to voltage-gated sodium channels. Mol Pharmacol. 2014 Feb;85(2):381-7.
5	Antiepileptic drugs and relapse after epilepsy surgery. Epileptic Disord. 2008 Sep;10(3):193-8.
6	Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
7	Synthesis and pharmacological evaluation of phenylacetamides as sodium-channel blockers. J Med Chem. 1994 Jan 21;37(2):268-74.
8	Medicinal chemistry of neuronal voltage-gated sodium channel blockers. J Med Chem. 2001 Jan 18;44(2):115-37.
9	Block of neuronal tetrodotoxin-resistant Na+ currents by stereoisomers of piperidine local anesthetics. Anesth Analg. 2000 Dec;91(6):1499-505.
10	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
11	In vitro assays for repellents and deterrents for ticks: differing effects of products when tested with attractant or arrestment stimuli. Med Vet Entomol. 2003 Dec;17(4):370-8.
12	Emerging drugs for epilepsy. Expert Opin Emerg Drugs. 2007 Sep;12(3):407-22.