HMR-1031

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H41N5O6
Molecular Weight	627.7299
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](N1C(=O)N(CC2=CC=C(NC(=O)NC3=CC=CC=C3C)C=C2)C(C)(C)C1=O)C(=O)N[C@@H](CC(O)=O)C4=CC=CC=C4

InChI

InChIKey=OPZVCXYTOHAOHN-VMPREFPWSA-N

InChI=1S/C35H41N5O6/c1-22(2)19-29(31(43)37-28(20-30(41)42)25-12-7-6-8-13-25)40-32(44)35(4,5)39(34(40)46)21-24-15-17-26(18-16-24)36-33(45)38-27-14-10-9-11-23(27)3/h6-18,22,28-29H,19-21H2,1-5H3,(H,37,43)(H,41,42)(H2,36,38,45)/t28-,29-/m0/s1

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14615470 | https://www.ncbi.nlm.nih.gov/pubmed/16120091

HMR 1031 is a potent and specific antagonist of the integrin VLA-4 (alpha4beta1) binding to vascular cell adhesion molecule-1 (VCAM-1) and fibronectin. HMR 1031 is an inhaled drug being developed for the treatment of asthma using an Ultrahaler dry-powder inhalation device. The interaction of VLA-4 with VCAM-1 is involved in the extravasations, activation, and extravascular survival of mononuclear leukocyte and eosinophil cell types at sites of airway inflammation. Thus, the VLA-4 antagonist, HMR 1031, has potential as an anti-inflammatory agent.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Integrin alpha-4/beta-1 6 Target ID: CHEMBL1907599 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14615470	Antagonist 2849

Conditions

Condition	Modality	Targets	Highest Phase	Product
Asthma 244 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14615470 https://www.ncbi.nlm.nih.gov/pubmed/14999362	Primary		Phase I 438	Unknown Approved Use Unknown
Arthritis 87 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24050747	Primary		Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
2.25 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/14999362/	3 mg single, respiratory dose: 3 mg route of administration: Respiratory experiment type: SINGLE co-administered:		HMR 1031 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
4.26 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/14999362/	3 mg single, respiratory dose: 3 mg route of administration: Respiratory experiment type: SINGLE co-administered:		HMR 1031 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
11.18 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/14999362/	3 mg single, respiratory dose: 3 mg route of administration: Respiratory experiment type: SINGLE co-administered:		HMR 1031 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
16.43 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/14999362/	3 mg single, respiratory dose: 3 mg route of administration: Respiratory experiment type: SINGLE co-administered:		HMR 1031 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
2.39 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/14999362/	3 mg single, respiratory dose: 3 mg route of administration: Respiratory experiment type: SINGLE co-administered:		HMR 1031 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
2.34 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/14999362/	3 mg single, respiratory dose: 3 mg route of administration: Respiratory experiment type: SINGLE co-administered:		HMR 1031 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

Doses

Dose	Population	Adverse events
3 mg single, respiratory Studied dose Dose: 3 mg Route: respiratory Route: single Dose: 3 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14999362	healthy Health Status: healthy Sex: M Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/14999362	Other AEs: Coughing, lymphadenopathy... Other AEs: Coughing (mild, 1 pt) lymphadenopathy (mild, 1 pt) Upper respiratory tract infection (1 pt) Sources: https://pubmed.ncbi.nlm.nih.gov/14999362

AEs

AE	Significance	Dose	Population
Upper respiratory tract infection	1 pt	3 mg single, respiratory Studied dose Dose: 3 mg Route: respiratory Route: single Dose: 3 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14999362	healthy Health Status: healthy Sex: M Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/14999362
Coughing	mild, 1 pt	3 mg single, respiratory Studied dose Dose: 3 mg Route: respiratory Route: single Dose: 3 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14999362	healthy Health Status: healthy Sex: M Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/14999362
lymphadenopathy	mild, 1 pt	3 mg single, respiratory Studied dose Dose: 3 mg Route: respiratory Route: single Dose: 3 mg Sources: https://pubmed.ncbi.nlm.nih.gov/14999362	healthy Health Status: healthy Sex: M Food Status: UNKNOWN Sources: https://pubmed.ncbi.nlm.nih.gov/14999362

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252	inhibitor 2438	inhibitor 2507

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
P-gp 1741

Drug as perpetrator

Target	Modality	Activity
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842#sid=363680347	inconclusive [IC50 26.837 uM]
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=363680347	no
P-gp 1932	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=363680347	no
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645841#sid=363680347	yes [IC50 21.3174 uM]

Sourcing

Vendor/Aggregator	ID	URL
Axon MedChem	1616	https://www.axonmedchem.com/product/1616
eMolecules	300548053	https://orderbb.emolecules.com/search/#?query=300548053
eMolecules	36367187	https://orderbb.emolecules.com/search/#?query=36367187
eMolecules	36730012	https://orderbb.emolecules.com/search/#?query=36730012
MolPort	MolPort-042-665-724	https://www.molport.com/shop/molecule-link/MolPort-042-665-724

PubMed

Title	Date	PubMed
Effect of a very late antigen-4 receptor antagonist on allergen-induced airway responses and inflammation in asthma.	2005-08	16120091
Effect of food on pharmacokinetics of an inhaled drug: a case study with a VLA-4 antagonist, HMR1031.	2003-12	14615470

Patents

Sample Use Guides

In Vivo Use Guide

HMR 1031 (3 mg) is delivered by the Ultrahaler and the Pari LC Star nebulizer

Route of Administration: Respiratory

In Vitro Use Guide

Unknown

Name

Type

Language

MDL 819,767

Preferred Name

English

HMR-1031

Code

English

MDL-819767

Code

English

BENZENEPROPANOIC ACID, .BETA.-(((2S)-2-(4,4-DIMETHYL-3-((4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)METHYL)-2,5-DIOXO-1-IMIDAZOLIDINYL)-4-METHYL-1-OXOPENTYL)AMINO)-, (.BETA.S)-

Systematic Name

English

(.BETA.S)-.BETA.-(((2S)-2-(4,4-DIMETHYL-3-((4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)METHYL)-2,5-DIOXO-1-IMIDAZOLIDINYL)-4-METHYL-1-OXOPENTYL)AMINO)BENZENEPROPANOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

9809368

Created by admin on Tue Apr 01 21:58:42 GMT 2025 , Edited by admin on Tue Apr 01 21:58:42 GMT 2025

PRIMARY

CAS

479203-71-9

Created by admin on Tue Apr 01 21:58:42 GMT 2025 , Edited by admin on Tue Apr 01 21:58:42 GMT 2025

PRIMARY

FDA UNII

RNM7WQO98Y

Created by admin on Tue Apr 01 21:58:42 GMT 2025 , Edited by admin on Tue Apr 01 21:58:42 GMT 2025

PRIMARY

ACTIVE MOIETY


					RNM7WQO98Y

HMR-1031

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/14615470 | https://www.ncbi.nlm.nih.gov/pubmed/16120091

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Cmax

AUC

T1/2

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14615470 | https://www.ncbi.nlm.nih.gov/pubmed/16120091

C_max

T_1/2

Drug as perpetrator