Identification
- Generic Name
- Verdoheme
- DrugBank Accession Number
- DB04803
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Verdoheme (DB04803)
- Weight
- Average: 547.405
Monoisotopic: 547.143257883 - Chemical Formula
- C30H27FeN4O3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UHeme oxygenase 1 Not Available Humans - 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
- Not Available
- CAS number
- Not Available
- InChI Key
- UBHGDCVUOWXYCX-UHFFFAOYSA-M
- InChI
- InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29;/h7-8,11-14H,1-2,9-10H2,3-6H3,(H2-2,31,32,33,34,35,36);/q-2;+4/p-1
- IUPAC Name
- 19-(2-carboxyethyl)-4,9-diethenyl-5,10,14,20-tetramethyl-7-oxa-2,22lambda5,23,25-tetraaza-1-ferraoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-3,5,8,10,12,14,16,18(22),19,21(24)-decaen-22-ylium
- SMILES
- CC1=CC2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6OC7=C(C=C)C(C)=C8C=C1N2[Fe]4(N56)N78)C(C)=C3CCC(O)=O
References
- General References
- Not Available
- External Links
Clinical Trials
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
Property Value Source Water Solubility 0.0326 mg/mL ALOGPS logP 1.59 ALOGPS logP 5.08 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 4.34 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.11 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 148.75 m3·mol-1 Chemaxon Polarizability 61.44 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7653 Blood Brain Barrier + 0.8627 Caco-2 permeable - 0.6377 P-glycoprotein substrate Non-substrate 0.5882 P-glycoprotein inhibitor I Non-inhibitor 0.7757 P-glycoprotein inhibitor II Non-inhibitor 0.9202 Renal organic cation transporter Non-inhibitor 0.8736 CYP450 2C9 substrate Non-substrate 0.8152 CYP450 2D6 substrate Non-substrate 0.8196 CYP450 3A4 substrate Substrate 0.5542 CYP450 1A2 substrate Inhibitor 0.6062 CYP450 2C9 inhibitor Inhibitor 0.5 CYP450 2D6 inhibitor Non-inhibitor 0.8113 CYP450 2C19 inhibitor Non-inhibitor 0.7171 CYP450 3A4 inhibitor Non-inhibitor 0.6794 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8325 Ames test Non AMES toxic 0.6427 Carcinogenicity Non-carcinogens 0.8626 Biodegradation Not ready biodegradable 0.5124 Rat acute toxicity 2.5325 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9863 hERG inhibition (predictor II) Non-inhibitor 0.9537
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Signal transducer activity
- Specific Function
- Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the a...
- Gene Name
- HMOX1
- Uniprot ID
- P09601
- Uniprot Name
- Heme oxygenase 1
- Molecular Weight
- 32818.345 Da
Drug created at September 11, 2007 17:49 / Updated at June 12, 2020 16:52