Mesoheme

Identification

Generic Name
Mesoheme
DrugBank Accession Number
DB02577
Background

The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 616.487
Monoisotopic: 616.177297665
Chemical Formula
C34H32FeN4O4
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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Toxicity

Not Available

Pathways
PathwayCategory
Arginine and Proline MetabolismMetabolic
Porphyrin MetabolismMetabolic
Purine MetabolismMetabolic
Simvastatin Action PathwayDrug action
Etodolac Action PathwayDrug action
Ketoprofen Action PathwayDrug action
Ibuprofen Action PathwayDrug action
Pravastatin Action PathwayDrug action
Rosuvastatin Action PathwayDrug action
Celecoxib Action PathwayDrug action
Suprofen Action PathwayDrug action
Indomethacin Action PathwayDrug action
Zoledronate Action PathwayDrug action
Pamidronate Action PathwayDrug action
Fluvastatin Action PathwayDrug action
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)Disease
Purine Nucleoside Phosphorylase DeficiencyDisease
Diflunisal Action PathwayDrug action
Congenital Bile Acid Synthesis Defect Type IIDisease
Lysosomal Acid Lipase Deficiency (Wolman Disease)Disease
Phenytoin (Antiarrhythmic) Action PathwayDrug action
Leukotriene C4 Synthesis DeficiencyDisease
Mitochondrial Electron Transport ChainMetabolic
Hyperprolinemia Type IIDisease
Hyperprolinemia Type IDisease
Lesch-Nyhan Syndrome (LNS)Disease
Gout or Kelley-Seegmiller SyndromeDisease
Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAHDisease
Methadone Action PathwayDrug action
Imipramine Action PathwayDrug action
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
RDYBSUHKGWXPFR-RGGAHWMASA-N
InChI
InChI=1S/C34H32N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+6/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
IUPAC Name
4,20-bis(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-2,22,23,25-tetraaza-1-ferraoctacyclo[11.9.1.1¹,⁸.1³,²¹.0²,⁶.0¹⁶,²³.0¹⁸,²².0¹¹,²⁵]pentacosa-3,5,7,9,11,13,15,17,19,21(24)-decaene-1,1-bis(ylium)
SMILES
CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Fe++]6(N34)N78)C(C)=C5C=C

References

General References
Not Available
PubChem Compound
131704209
PubChem Substance
46508983

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
Water Solubility0.00841 mg/mLALOGPS
logP5.53ALOGPS
logP8.17ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.64ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area94.32 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity169.77 m3·mol-1ChemAxon
Polarizability69.63 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on June 13, 2005 13:24 / Updated on August 01, 2020 13:43