Ferroheme
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ferroheme
- DrugBank Accession Number
- DB18267
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 616.499
Monoisotopic: 616.177292 - Chemical Formula
- C34H32FeN4O4
- Synonyms
- Heme
- HEME B
- HEME IRON
- PROTOHEME
- PROTOHEME IX
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 42VZT0U6YR
- CAS number
- 14875-96-8
- InChI Key
- KABFMIBPWCXCRK-RGGAHWMASA-L
- InChI
- InChI=1S/C34H34N4O4.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,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
- IUPAC Name
- lambda2-iron(2+) 4,20-bis(2-carboxyethyl)-10,15-diethenyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-21,23-diide
- SMILES
- [Fe++].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0003178
- ChemSpider
- 4802
- ChEBI
- 17627
- PDBe Ligand
- HEM
- PDB Entries
- 101m / 102m / 103m / 104m / 105m / 106m / 107m / 108m / 109m / 110m … show 5605 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Completed Treatment Anemia / Kidney Failure 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 6.58 Chemaxon pKa (Strongest Acidic) 3.79 Chemaxon pKa (Strongest Basic) 5.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 126.16 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 165.03 m3·mol-1 Chemaxon Polarizability 65.29 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2023 19:38 / Updated at September 17, 2023 04:15