Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Diphthamide
- DrugBank Accession Number
- DB03223
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Diphthamide (DB03223)
- Weight
- Average: 298.366
Monoisotopic: 298.187366073 - Chemical Formula
- C13H24N5O3
- Synonyms
- 2-(3-Carboxyamido-3-(Trimethylammonio)Propyl)Histidine
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UElongation factor 2 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Histidine and derivatives
- Alternative Parents
- Alpha amino acid amides / L-alpha-amino acids / Aralkylamines / Fatty amides / Tetraalkylammonium salts / Imidazoles / Heteroaromatic compounds / Primary carboxylic acid amides / Amino acids / Azacyclic compounds show 9 more
- Substituents
- Alpha-amino acid / Alpha-amino acid amide / Amine / Amino acid / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Azole / Carbonyl group / Carboxamide group show 23 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- quaternary ammonium ion (CHEBI:57580)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 86L3ZZ4408
- CAS number
- 75645-22-6
- InChI Key
- FOOBQHKMWYGHCE-UWVGGRQHSA-O
- InChI
- InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10-/m0/s1
- IUPAC Name
- [(1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carbamoylpropyl]trimethylazanium
- SMILES
- C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
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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 0.124 mg/mL ALOGPS logP -1.6 ALOGPS logP -7.2 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 1.5 Chemaxon pKa (Strongest Basic) 9.25 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 135.09 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 88.38 m3·mol-1 Chemaxon Polarizability 31.82 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.988 Blood Brain Barrier - 0.7687 Caco-2 permeable - 0.7008 P-glycoprotein substrate Substrate 0.6656 P-glycoprotein inhibitor I Non-inhibitor 0.9639 P-glycoprotein inhibitor II Non-inhibitor 0.9203 Renal organic cation transporter Non-inhibitor 0.9296 CYP450 2C9 substrate Non-substrate 0.8388 CYP450 2D6 substrate Non-substrate 0.8066 CYP450 3A4 substrate Non-substrate 0.5482 CYP450 1A2 substrate Non-inhibitor 0.8599 CYP450 2C9 inhibitor Non-inhibitor 0.847 CYP450 2D6 inhibitor Non-inhibitor 0.8864 CYP450 2C19 inhibitor Non-inhibitor 0.8272 CYP450 3A4 inhibitor Non-inhibitor 0.9118 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9827 Ames test Non AMES toxic 0.758 Carcinogenicity Non-carcinogens 0.9054 Biodegradation Not ready biodegradable 0.6016 Rat acute toxicity 2.5378 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9972 hERG inhibition (predictor II) Non-inhibitor 0.8609
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-3490000000-7c0041869cdaceb807b8 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.65215 predictedDeepCCS 1.0 (2019) [M+H]+ 165.01015 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.49033 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Catalyzes the GTP-dependent ribosomal translocation step during translation elongation (PubMed:26593721). During this step, the ribosome changes from the pre-translocational (PRE) to the post-translocational (POST) state as the newly formed A-site-bound peptidyl-tRNA and P-site-bound deacylated tRNA move to the P and E sites, respectively (PubMed:26593721). Catalyzes the coordinated movement of the two tRNA molecules, the mRNA and conformational changes in the ribosome (PubMed:26593721)
- Specific Function
- cadherin binding
- Gene Name
- EEF2
- Uniprot ID
- P13639
- Uniprot Name
- Elongation factor 2
- Molecular Weight
- 95337.385 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