Details of the Drug

General Information of Drug (ID: DMXKZT3)

Drug Name

Buclizine

Synonyms

Bucladin; Buclifen; Buclina; Buclizina; Buclizinum; Buclodin; Histabuticine; Histabutizine; Histabutyzine; Hitabutyzyne; Posdel; Softran; Vibazine; Aphilan R; Buclizine dihydrochloride; Buclizine hydrochloride; Component of Softran; Histabutyzine dihydrochloride; Histabutyzine hydrochloride; Vibazine hydrochloride; AH 2526; UCB 4445; Aphilan-R base; Buclina (TN); Buclizina [INN-Spanish]; Buclizine (INN); Buclizine [INN:BAN]; Buclizine, hydrochloride; Buclizinum [INN-Latin]; Component of Bucladin-S; Migraleve (TN); Buclizine Hydrochloride (*dihydrochloride*); Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, dihydrochloride; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((4-(1,1-dimethylethyl)phenyl)methyl)-(9CI); 1-(4-Tert-butylbenzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine; 1-(4-tert-Butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine; 1-(p-tert-Butylbenzyl)-4-(4-chloro-alpha-phenylbenzyl)piperazine; 1-[(4-chlorophenyl)(phenyl)methyl]-4-{[4-(1,1-dimethylethyl)phenyl]methyl}piperazine; 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine

Indication

Disease Entry	ICD 11	Status	REF
Nausea	MD90	Approved	[1], [2]

Therapeutic Class

Antihistamines

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

433

Topological Polar Surface Area (xlogp)

7.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

ADMET Property

Absorption: The drug is rapidly absorbed following oral administration [3]
Metabolism: The drug is metabolized via the hepatic [3]

Chemical Identifiers

Formula: C28H33ClN2
IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
InChIKey: MOYGZHXDRJNJEP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6729
ChEBI ID: CHEBI:3205
CAS Number: 82-95-1
DrugBank ID: DB00354
TTD ID: D03XSJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Antagonist	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Nausea

ICD Disease Classification

MD90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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: 7134).
2	Drug information of Buclizine, 2008. eduDrugs.
3	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
4	Toxicologic and clinical appraisal of buclizine, a new antihistaminic compound. J Allergy. 1956 Jan;27(1):63-7.
5	Cloning and pharmacological characterization of a fourth histamine receptor (H(4)) expressed in bone marrow. Mol Pharmacol. 2001 Mar;59(3):420-6.
6	Clinical research of Ibudilast on treating the steroid resistant allergic rhinitis. Lin Chung Er Bi Yan Hou Tou Jing Wai Ke Za Zhi. 2009 Jan;23(2):63-6.
7	Intact cell binding for in vitro prediction of sedative and non-sedative histamine H1-receptor antagonists based on receptor internalization. J Pharmacol Sci. 2008 May;107(1):66-79.
8	Update on prescription and over-the-counter histamine inverse agonists in rhinitis therapy. Curr Allergy Asthma Rep. 2009 Mar;9(2):140-8.
9	Central effects of cinnarizine: restricted use in aircrew. Aviat Space Environ Med. 2002 Jun;73(6):570-4.
10	Novel therapeutic usage of low-dose doxepin hydrochloride. Expert Opin Investig Drugs. 2007 Aug;16(8):1295-305.
11	Influence of epinastine hydrochloride, an H1-receptor antagonist, on the function of mite allergen-pulsed murine bone marrow-derived dendritic cell... Mediators Inflamm. 2009;2009:738038.
12	Examining the tolerability of the non-sedating antihistamine desloratadine: a prescription-event monitoring study in England. Drug Saf. 2009;32(2):169-79.