NAV

MB-07803

Identification

Generic Name
MB-07803
DrugBank Accession Number
DB05053
Background

MB07803 is a second generation gluconeogenesis inhibitor for the treatment of type 2 diabetes. It is designed to block the metabolic pathway in the liver that is responsible for producing glucose.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 556.61
Monoisotopic: 556.212057719
Chemical Formula
C24H37N4O7PS
Synonyms
Not Available
External IDs
  • MB 07803
  • MB-07803
  • MB07803
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Pharmacology

Indication

Investigated for use/treatment in diabetes mellitus type 2.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

MB07803 is a selective inhibitor of fructose-1, 6-bisphosphatase (FBPase), a regulatory enzyme in the pathway responsible for the production of glucose in the liver, known as the gluconeogenesis pathway. By specifically inhibiting this pathway, liver glucose production should be reduced and blood sugar levels decreased in patients with diabetes, independent of insulin levels and body weight.

TargetActionsOrganism
UFructose-1,6-bisphosphatase 1Not 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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
2,4,5-trisubstituted thiazoles / Aryl alkyl ketones / Primary aromatic amines / 2-amino-1,3-thiazoles / Dicarboxylic acids and derivatives / Organic phosphonic acids and derivatives / Heteroaromatic compounds / Furans / Carboxylic acid esters / Oxacyclic compounds
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Substituents
1,3-thiazol-2-amine / 2,4,5-trisubstituted 1,3-thiazole / Aldehyde / Alpha-amino acid or derivatives / Amine / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Aryl ketone / Azacycle / Azole
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GG81XF45C2
CAS number
882757-24-6
InChI Key
CTKZZUXRWBCFEI-UHFFFAOYSA-N
InChI
InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32)
IUPAC Name
ethyl 2-[({5-[2-amino-5-(2,2-dimethylpropanoyl)-1,3-thiazol-4-yl]furan-2-yl}[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]phosphoryl)amino]-2-methylpropanoate
SMILES
CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C

References

General References
Not Available
PubChem Compound
24770445
PubChem Substance
347827708
ChemSpider
29737497

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentType 2 Diabetes Mellitus1

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
Water Solubility0.0379 mg/mLALOGPS
logP2.53ALOGPS
logP2.72Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)15.41Chemaxon
pKa (Strongest Basic)1.91Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area162.85 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity139.41 m3·mol-1Chemaxon
Polarizability57.13 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-0001920000-7532707c92f1a1ff1f68
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0019510000-9e23d98a3f8b1c6cf46c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-2604490000-21fc5e71ac0ef2b361de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f8i-0006910000-218108149ad799dd72dc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01td-0009210000-ebf9e47788da28d9e747
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4j-0009100000-1e355b97239403e7e3de
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-242.1105245
predicted
DarkChem Lite v0.1.0
[M-H]-220.89871
predicted
DeepCCS 1.0 (2019)
[M+H]+242.2810245
predicted
DarkChem Lite v0.1.0
[M+H]+223.27603
predicted
DeepCCS 1.0 (2019)
[M+Na]+242.5738245
predicted
DarkChem Lite v0.1.0
[M+Na]+229.18855
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Fructose-1,6-bisphosphatase 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Monosaccharide binding
Specific Function
Catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate in the presence of divalent cations, acting as a rate-limiting enzyme in gluconeogenesis. Plays a role in regulating gl...
Gene Name
FBP1
Uniprot ID
P09467
Uniprot Name
Fructose-1,6-bisphosphatase 1
Molecular Weight
36842.145 Da

Drug created at October 21, 2007 22:23 / Updated at June 12, 2020 16:52