Identification
- Generic Name
- Zinc Substituted Heme C
- DrugBank Accession Number
- DB04249
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Zinc Substituted Heme C (DB04249)
- Weight
- Average: 628.067
Monoisotopic: 626.187152174 - Chemical Formula
- C34H34N4O4Zn
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UCytochrome c 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareCarbamazepine Zinc Substituted Heme C can cause a decrease in the absorption of Carbamazepine resulting in a reduced serum concentration and potentially a decrease in efficacy. Ceftibuten Zinc Substituted Heme C can cause a decrease in the absorption of Ceftibuten resulting in a reduced serum concentration and potentially a decrease in efficacy. Cephalexin Zinc Substituted Heme C can cause a decrease in the absorption of Cephalexin resulting in a reduced serum concentration and potentially a decrease in efficacy. Cinoxacin Zinc Substituted Heme C can cause a decrease in the absorption of Cinoxacin resulting in a reduced serum concentration and potentially a decrease in efficacy. Ciprofloxacin Zinc Substituted Heme C can cause a decrease in the absorption of Ciprofloxacin resulting in a reduced serum concentration and potentially a decrease in efficacy. Deferasirox Zinc Substituted Heme C can cause a decrease in the absorption of Deferasirox resulting in a reduced serum concentration and potentially a decrease in efficacy. Deferiprone Zinc Substituted Heme C can cause a decrease in the absorption of Deferiprone resulting in a reduced serum concentration and potentially a decrease in efficacy. Delafloxacin Zinc Substituted Heme C can cause a decrease in the absorption of Delafloxacin resulting in a reduced serum concentration and potentially a decrease in efficacy. Demeclocycline Zinc Substituted Heme C can cause a decrease in the absorption of Demeclocycline resulting in a reduced serum concentration and potentially a decrease in efficacy. Dolutegravir Zinc Substituted Heme C can cause a decrease in the absorption of Dolutegravir resulting in a reduced serum concentration and potentially a decrease in efficacy. 
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- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- OSHBEULYPOLYCE-DXQPMOBYSA-N
- InChI
- InChI=1S/C34H34N4O4.Zn/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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7+,22-8?,26-13-,29-14-,30-15-,31-16-;
- IUPAC Name
- lambda4-zinc(4+) (20E)-10,14-bis(2-carboxyethyl)-5,20-diethylidene-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,6,8,10,12,14,16,18-nonaene-21,22,23,24-tetraide
- SMILES
- [Zn+4].[H]\C(C)=C1\C(C)=C2[N-]\C\1=C([H])/C1=C(C)C(=C([H])C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]\C(=C/2\[H])C(C)=C1CCC(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1m60
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 0.00449 mg/mL ALOGPS logP 5.33 ALOGPS logP -0.9 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 3.56 Chemaxon pKa (Strongest Basic) 9.12 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 115.18 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 174.7 m3·mol-1 Chemaxon Polarizability 66.32 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9637 Blood Brain Barrier + 0.6117 Caco-2 permeable - 0.5851 P-glycoprotein substrate Substrate 0.6874 P-glycoprotein inhibitor I Non-inhibitor 0.6149 P-glycoprotein inhibitor II Non-inhibitor 0.8075 Renal organic cation transporter Non-inhibitor 0.8815 CYP450 2C9 substrate Non-substrate 0.7234 CYP450 2D6 substrate Non-substrate 0.8258 CYP450 3A4 substrate Substrate 0.5911 CYP450 1A2 substrate Inhibitor 0.5234 CYP450 2C9 inhibitor Non-inhibitor 0.695 CYP450 2D6 inhibitor Non-inhibitor 0.7205 CYP450 2C19 inhibitor Non-inhibitor 0.7609 CYP450 3A4 inhibitor Non-inhibitor 0.7562 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.6522 Ames test Non AMES toxic 0.6283 Carcinogenicity Non-carcinogens 0.9229 Biodegradation Not ready biodegradable 0.9928 Rat acute toxicity 2.6478 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9199 hERG inhibition (predictor II) Non-inhibitor 0.8916
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfe...
- Gene Name
- CYCS
- Uniprot ID
- P99999
- Uniprot Name
- Cytochrome c
- Molecular Weight
- 11748.69 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52