Identification

Generic Name
MLN-977
DrugBank Accession Number
DB05431
Background

MLN-977 is a small molecule compound that inhibits the production of leukotrienes, especially 5-lipoxygenase. It is developed by PharmaEngine to treat asthma and chronic obstructive pulmonary disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 322.336
Monoisotopic: 322.132885263
Chemical Formula
C16H19FN2O4
Synonyms
Not Available
External IDs
  • CMI 977
  • CMI-977
  • LDP 977
  • LDP-977
  • MLN-977

Pharmacology

Indication

Investigated for use/treatment in asthma and chronic obstructive pulmonary disease (COPD).

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

MLN977 is a second generation compound in the class of asthma therapies known as 5-LO inhibitors, which block the production of leukotrienes. Leukotrienes are major mediators of the inflammatory response.

TargetActionsOrganism
UArachidonate 5-lipoxygenaseNot AvailableHumans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
VNR0T3Q498
CAS number
175212-04-1
InChI Key
YANONWCPCKIWEC-CABCVRRESA-N
InChI
InChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)22-11-15-9-8-14(23-15)3-1-2-10-19(21)16(18)20/h4-7,14-15,21H,2,8-11H2,(H2,18,20)/t14-,15+/m1/s1
IUPAC Name
1-{4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-yn-1-yl}-1-hydroxyurea
SMILES
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COC2=CC=C(F)C=C2)O1

References

General References
Not Available
PubChem Substance
347910134
ChemSpider
8080886
BindingDB
50144621
ChEMBL
CHEMBL73148
ZINC
ZINC000003821540

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP1.88Chemaxon
pKa (Strongest Acidic)9.5Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area85.02 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity81.82 m3·mol-1Chemaxon
Polarizability32.75 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Iron ion binding
Specific Function
Catalyzes the first step in leukotriene biosynthesis, and thereby plays a role in inflammatory processes.
Gene Name
ALOX5
Uniprot ID
P09917
Uniprot Name
Arachidonate 5-lipoxygenase
Molecular Weight
77982.595 Da

Drug created at November 18, 2007 18:24 / Updated at June 12, 2020 16:52