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]
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Therapeutic Class

Antihistamines

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

433

Logarithm of the Partition Coefficient (xlogp)

7.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

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

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	[2]

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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	Toxicologic and clinical appraisal of buclizine, a new antihistaminic compound. J Allergy. 1956 Jan;27(1):63-7.