FENPIPRANE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H25N
Molecular Weight	279.4192
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FENPIPRANE

Structure Search

SMILES

C(CN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=JXJPYHDHJZJWRI-UHFFFAOYSA-N

InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2

HIDE SMILES / InChI

Molecular Formula	C20H25N
Molecular Weight	279.4192
Charge	0
Count

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

Description
Sources: https://www.drugfuture.com/chemdata/fenpiprane.html | https://books.google.ru/books?id=0vXTBwAAQBAJ&printsec=frontcover&hl=ru#v=onepage&q&f=false | https://www.whocc.no/atc_ddd_index/?code=A03AX01&showdescription=yes

Fenpiprane is a compound with antiallergic and antispasmodic activities. It is used in the treatment of functional gastrointestinal disorders.

Approval Year

PubMed

PubMed

Title	Date	PubMed
Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas.	2005 Jan 3	15582404
Comparative QSAR modeling of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas.	2006 Sep 1	16806923
3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists.	2007 Apr	17345108
Current mathematical methods used in QSAR/QSPR studies.	2009 Apr 29	19564933
Prediction of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas based on the heuristic method, support vector machine and projection pursuit regression.	2009 Jan	18433938
Quantitative structure-activity relationships studies of CCR5 inhibitors and toxicity of aromatic compounds using gene expression programming.	2010 Jan	19819596
Molecular modeling studies of 4,5-dihydro-1H-pyrazolo[4,3-h] quinazoline derivatives as potent CDK2/Cyclin a inhibitors using 3D-QSAR and docking.	2010 Sep 28	21152296

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:42:12 GMT 2023` Edited by `admin` on `Fri Dec 15 15:42:12 GMT 2023`
Record UNII	S2FVB1RL5X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FENPIPRANE

Official Name

English

1-(3,3-DIPHENYLPROPYL)PIPERIDINE

Systematic Name

English

FENPIPRANE [MI]

Common Name

English

fenpiprane [INN]

Common Name

English

Fenpiprane [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QA03AX01

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

NCI_THESAURUS

C29698

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

WHO-ATC

A03AX01

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

Code System Code Type Description

NCI_THESAURUS

C73174

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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WIKIPEDIA

FENPIPRANE

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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EPA CompTox

DTXSID10188883

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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MESH

C470220

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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DRUG BANK

DB13439

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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PUBCHEM

197785

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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ChEMBL

CHEMBL49943

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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MERCK INDEX

m731

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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Merck Index

FDA UNII

S2FVB1RL5X

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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DRUG CENTRAL

1159

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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SMS_ID

100000081485

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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CAS

3540-95-2

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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INN

2241

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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EVMPD

SUB07589MIG

Created by admin on Fri Dec 15 15:42:12 GMT 2023 , Edited by admin on Fri Dec 15 15:42:12 GMT 2023

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FENPIPRANE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

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					S2FVB1RL5X

ACTIVE MOIETY