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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 of BAVISANT

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

Description

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

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2849
PubMed

PubMed

TitleDatePubMed
Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401, irdabisant): a potent, selective histamine H3 receptor inverse agonist.
2011-07-14
Patents

Patents

07687499
3
07728129
3
07795426
3
07893257
3
07910582
3
08680273
3
20070066821
3
20070129351
3
20070197508
3
20080171870
3
20100130485
3

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
Name Type Language
bavisant [INN]
Preferred Name English
BAVISANT
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
(4-Cyclopropylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone
Systematic 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
SMS_ID
300000034158
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
PUBCHEM
16061509
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
USAN
XX-116
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
ChEMBL
CHEMBL2103862
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
FDA UNII
9827P7LFVH
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID001026045
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
NCI_THESAURUS
C171762
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
DRUG BANK
DB12299
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
CAS
929622-08-2
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
INN
9244
Created by admin on Wed Apr 02 07:05:06 GMT 2025 , Edited by admin on Wed Apr 02 07:05:06 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of BAVISANT
SALT/SOLVATE (PARENT)
Structure of BAVISANT DIHYDROCHLORIDE
NIH
NCATS
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