ORE-1001

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23Cl2N3O4
Molecular Weight	428.31
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC2=CC(Cl)=CC(Cl)=C2)C(O)=O)C(O)=O

InChI

InChIKey=NTCCRGGIJNDEAB-IRXDYDNUSA-N

InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H23Cl2N3O4
Molecular Weight	428.31
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.businesswire.com/news/home/20090909005260/en/Ore-Pharmaceuticals-Announces-Upcoming-Publication-Research-Study | https://clinicaltrials.gov/ct2/show/NCT01039597 | https://www.ncbi.nlm.nih.gov/pubmed/19517214 | https://adisinsight.springer.com/drugs/800026783

Ore Pharmaceuticals developed ORE1001 previously known as MLN-4760 as an orally administered, small molecule compound, for the treatment of inflammatory bowel diseases. ORE1001 is a specific angiotensin-converting enzyme 2 inhibitor. It was shown that ORE1001 markedly decreased tissue myeloperoxidase activity, a well-known marker of inflammation. As a result, ORE1001 was studied as a treatment of gastrointestinal inflammatory conditions. ORE1001 was involved in phase I clinical trial to investigate its safety and activity in subjects with ulcerative colitis. In addition, the drug was studied for NSAID-induced ulcer and obesity. However, all these studies were discontinued.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Angiotensin-converting enzyme 2 3 Target ID: Q9BYF1 Gene ID: 59272.0 Gene Symbol: ACE2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22777933	Inhibitor 8297

PubMed

Title	Date	PubMed
Effects of the ACE2 inhibitor GL1001 on acute dextran sodium sulfate-induced colitis in mice.	2009 Nov	19517214
Murine recombinant angiotensin-converting enzyme 2: effect on angiotensin II-dependent hypertension and distinctive angiotensin-converting enzyme 2 inhibitor characteristics on rodent and human angiotensin-converting enzyme 2.	2012 Sep	22777933

Sample Use Guides

In Vivo Use Guide

Oral capsules containing 300 mg of the active, study drug

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:40:19 UTC 2023` Edited by `admin` on `Sat Dec 16 05:40:19 UTC 2023`
Record UNII	4LD0ZHV25K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORE-1001

Common Name

English

ORE-1001 FREE ACID

Code

English

GL1001

Code

English

MLN-4760

Code

English

L-HISTIDINE, N-((1S)-1-CARBOXY-3-METHYLBUTYL)-3-((3,5-DICHLOROPHENYL)METHYL)-

Systematic Name

English

ORE1001

Code

English

GL-1001

Common Name

English

Code System Code Type Description

FDA UNII

4LD0ZHV25K