DG-051

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24ClNO4.ClH
Molecular Weight	426.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.OC(=O)CCCN1CCC[C@H]1COC2=CC=C(OC3=CC=C(Cl)C=C3)C=C2

InChI

InChIKey=UCPVOTSNNAVKNE-LMOVPXPDSA-N

InChI=1S/C21H24ClNO4.ClH/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25;/h5-12,17H,1-4,13-15H2,(H,24,25);1H/t17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H24ClNO4
Molecular Weight	389.873
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Leukotriene A4 hydrolase 4 Target ID: CHEMBL4618 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19950900	Inhibitor 8297		47.0 nM [IC50]

PubMed

Title	Date	PubMed
Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.	2010 Jan 28	19950900

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:47:57 GMT 2023` Edited by `admin` on `Sat Dec 16 14:47:57 GMT 2023`
Record UNII	28B7Y5Y8EF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DG-051

Common Name

English

1-PYRROLIDINEBUTANOIC ACID, 2-((4-(4-CHLOROPHENOXY)PHENOXY)METHYL)-, HYDROCHLORIDE (1:1), (2S)-

Systematic Name

English

Code System Code Type Description

CAS

929915-58-2

Created by admin on Sat Dec 16 14:47:57 GMT 2023 , Edited by admin on Sat Dec 16 14:47:57 GMT 2023

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PUBCHEM

44818987

Created by admin on Sat Dec 16 14:47:57 GMT 2023 , Edited by admin on Sat Dec 16 14:47:57 GMT 2023

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FDA UNII

28B7Y5Y8EF

Created by admin on Sat Dec 16 14:47:57 GMT 2023 , Edited by admin on Sat Dec 16 14:47:57 GMT 2023

PRIMARY

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