Identification
- Generic Name
- Glycocyamine
- DrugBank Accession Number
- DB02751
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Glycocyamine (DB02751)
- Weight
- Average: 117.1066
Monoisotopic: 117.053826483 - Chemical Formula
- C3H7N3O2
- Synonyms
- Amidinoglycine
- Betacyamine
- Guanidineacetic acid
- Guanidoacetic acid
- Guanyl glycine
- N-(aminoiminomethyl)glycine
- N-amidinoglycine
- External IDs
- NSC-1901
- NSC-227847
- NSC-26360
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UGuanidinoacetate N-methyltransferase 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
- 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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Glycocyamine hydrochloride 45Z111CZBX 14901-20-3 XXOMCDWWEZZWBJ-UHFFFAOYSA-N Glycocyamine phosphate IFB3AE498K 81129-50-2 HBOGVDDPCCTYJI-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids and derivatives
- Alternative Parents
- Guanidines / Monocarboxylic acids and derivatives / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides / Imines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alpha-amino acid or derivatives / Carbonyl group / Carboximidamide / Carboxylic acid / Guanidine / Hydrocarbon derivative / Imine / Monocarboxylic acid or derivatives / Organic nitrogen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- glycine derivative, N-amidino-amino acid (CHEBI:16344)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GO52O1A04E
- CAS number
- 352-97-6
- InChI Key
- BPMFZUMJYQTVII-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
- IUPAC Name
- 2-[(diaminomethylidene)amino]acetic acid
- SMILES
- NC(N)=NCC(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000128
- KEGG Compound
- C00581
- PubChem Compound
- 763
- PubChem Substance
- 46506215
- ChemSpider
- 743
- BindingDB
- 50021601
- ChEBI
- 57742
- ChEMBL
- CHEMBL281593
- ZINC
- ZINC000000895314
- PDBe Ligand
- NMG
- Wikipedia
- Glycocyamine
- PDB Entries
- 1xcj / 4v7n
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 18.7 mg/mL ALOGPS logP -1.6 ALOGPS logP -3.2 Chemaxon logS -0.8 ALOGPS pKa (Strongest Acidic) 3.25 Chemaxon pKa (Strongest Basic) 11.78 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 101.7 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 26.43 m3·mol-1 Chemaxon Polarizability 10.57 Å3 Chemaxon Number of Rings 0 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 + 0.9079 Blood Brain Barrier + 0.6387 Caco-2 permeable - 0.7303 P-glycoprotein substrate Non-substrate 0.669 P-glycoprotein inhibitor I Non-inhibitor 0.9716 P-glycoprotein inhibitor II Non-inhibitor 0.9497 Renal organic cation transporter Non-inhibitor 0.8746 CYP450 2C9 substrate Non-substrate 0.8312 CYP450 2D6 substrate Non-substrate 0.7472 CYP450 3A4 substrate Non-substrate 0.8402 CYP450 1A2 substrate Non-inhibitor 0.9343 CYP450 2C9 inhibitor Non-inhibitor 0.9317 CYP450 2D6 inhibitor Non-inhibitor 0.9329 CYP450 2C19 inhibitor Non-inhibitor 0.9121 CYP450 3A4 inhibitor Non-inhibitor 0.929 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9966 Ames test Non AMES toxic 0.6378 Carcinogenicity Non-carcinogens 0.8665 Biodegradation Ready biodegradable 0.7636 Rat acute toxicity 1.5599 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9765 hERG inhibition (predictor II) Non-inhibitor 0.9734
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 119.6973271 predictedDarkChem Lite v0.1.0 [M-H]- 119.6543271 predictedDarkChem Lite v0.1.0 [M-H]- 119.6270271 predictedDarkChem Lite v0.1.0 [M-H]- 124.55472 predictedDeepCCS 1.0 (2019) [M+H]+ 121.3582271 predictedDarkChem Lite v0.1.0 [M+H]+ 125.7639387 predictedDarkChem Standard v0.1.0 [M+H]+ 121.2752271 predictedDarkChem Lite v0.1.0 [M+H]+ 127.39041 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.7953271 predictedDarkChem Lite v0.1.0 [M+Na]+ 120.8141271 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.1838271 predictedDarkChem Lite v0.1.0 [M+Na]+ 135.9529 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Methyltransferase activity
- Specific Function
- Not Available
- Gene Name
- GAMT
- Uniprot ID
- Q14353
- Uniprot Name
- Guanidinoacetate N-methyltransferase
- Molecular Weight
- 26317.925 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