BAVISANT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H27N3O2
Molecular Weight	329.4366
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(N1CCN(CC1)C2CC2)C3=CC=C(CN4CCOCC4)C=C3

InChI

InChIKey=BGBVSGSIXIIREO-UHFFFAOYSA-N

InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2

HIDE SMILES / InChI

Molecular Formula	C19H27N3O2
Molecular Weight	329.4366
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22519922 | https://www.pmlive.com/pharma_news/benevolentai_raises_$115m_to_fund_drug_development_1232653?SQ_DESIGN_NAME=2

Bavisant (also known as JNJ-31001074 or BEN-2001), a highly selective, active antagonist of the human H3 receptor that was invented by Johnson & Johnson for the treatment of attention-deficit hyperactivity disorder (ADHD). However, the result of clinical trials did not display significant clinical effectiveness in the treatment of adults with ADHD. BenevolentAI has started phase II clinical trials where investigated bavisant for ameliorating the excessive daytime sleepiness in patients with Parkinson’s disease, using one of the drug side effects is dose-dependent insomnia.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Histamine H3 receptor 43 Target ID: CHEMBL264 Sources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/cc5ddbc0894f9b00110f5f4f29f8574a.html \| https://adisinsight.springer.com/drugs/800031762 \| https://www.medchemexpress.com/bavisant.html	Antagonist 2737

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Participants were randomly assigned equally to one of six treatment groups: placebo, bavisant 1 mg/day, 3 mg/day or 10 mg/day, atomoxetine hydrochloride 80 mg/day or osmotic-release oral system (OROS) methylphenidate hydrochloride 54 mg/day.

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sun Dec 18 17:57:23 UTC 2022` Edited by `admin` on `Sun Dec 18 17:57:23 UTC 2022`
Record UNII	9827P7LFVH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAVISANT

Official Name

English

(4-Cyclopropylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone

Systematic Name

English

bavisant [INN]

Common Name

English

BAVISANT [USAN]

Common Name

English

Bavisant [WHO-DD]

Common Name

English

METHANONE, (4-CYCLOPROPYL-1-PIPERAZINYL)(4-(4-MORPHOLINYLMETHYL)PHENYL)-

Systematic Name

English

JNJ-31001074

Code

English

Code System Code Type Description

PUBCHEM

16061509