Lometrexol
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Lometrexol
- DrugBank Accession Number
- DB12769
- Background
Lometrexol has been used in trials studying the treatment of Lung Cancer, Drug/Agent Toxicity by Tissue/Organ, and Unspecified Adult Solid Tumor, Protocol Specific.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 443.4531
Monoisotopic: 443.180483557 - Chemical Formula
- C21H25N5O6
- Synonyms
- Lometrexol
- Lometrexolum
- External IDs
- LY-264618
- LY264618
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UDihydrofolate reductase Not Available Escherichia coli (strain K12) - 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 softwareAcetazolamide The therapeutic efficacy of Lometrexol can be increased when used in combination with Acetazolamide. Ambroxol The risk or severity of methemoglobinemia can be increased when Lometrexol is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Lometrexol is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Lometrexol is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Lometrexol is combined with Benzyl alcohol. - 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 Lometrexol sodium US81N1145T 120408-07-3 SVJSWELRJWVPQD-KJWOGLQMSA-L
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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
- Glutamic acid and derivatives
- Alternative Parents
- Hippuric acids / N-acyl-alpha amino acids / Pyridopyrimidines / Benzoyl derivatives / Pyrimidones / Secondary alkylarylamines / Aminopyrimidines and derivatives / Pyridines and derivatives / Dicarboxylic acids and derivatives / Vinylogous amides show 10 more
- Substituents
- Amine / Amino acid / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carbonyl group show 27 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- pyridopyrimidine, N-acyl-L-glutamic acid (CHEBI:41816)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6P3AVY8A7Q
- CAS number
- 106400-81-1
- InChI Key
- ZUQBAQVRAURMCL-DOMZBBRYSA-N
- InChI
- InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1
- IUPAC Name
- (2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioic acid
- SMILES
- NC1=NC(=O)C2=C(NC[C@H](CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2)N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 148138
- PubChem Substance
- 347828954
- ChemSpider
- 130593
- BindingDB
- 22590
- ChEMBL
- CHEMBL34412
- ZINC
- ZINC000008577213
- PDBe Ligand
- DDF
- PDB Entries
- 1dyj / 1rc4 / 1rx4 / 1rx5 / 1rx6 / 5cc9 / 5ccc / 6qvg
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Lung Cancer 1 1 Unknown Status Treatment Drug/Agent Toxicity by Tissue/Organ / Unspecified Adult Solid Tumor, Protocol Specific 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 Water Solubility 0.0911 mg/mL ALOGPS logP 0.75 ALOGPS logP -1 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 3.03 Chemaxon pKa (Strongest Basic) 4.75 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 183.21 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 122 m3·mol-1 Chemaxon Polarizability 45.15 Å3 Chemaxon Number of Rings 3 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0090600000-8fc75fe811937614d364 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-006x-0001900000-9e9218850b48418534bd Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-1691000000-0e48ca7549e44f5f1989 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0zgm-1709300000-a50181f5d2e3b6818f40 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-1493000000-417c2f173e8972d02ff7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-2903100000-da010b602d1c22d2315d 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]- 195.03891 predictedDeepCCS 1.0 (2019) [M+H]+ 197.43446 predictedDeepCCS 1.0 (2019) [M+Na]+ 203.347 predictedDeepCCS 1.0 (2019)
Targets
![](https://go.drugbank.com/assets/locked/DrugTargets2-682eb846d210ae4bf33ca03febccfb57bb1c61318e699b729e5df4dfab2c5b67.png)
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1. DetailsDihydrofolate reductase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Nadp binding
- Specific Function
- Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
- Gene Name
- folA
- Uniprot ID
- P0ABQ4
- Uniprot Name
- Dihydrofolate reductase
- Molecular Weight
- 17999.21 Da
References
Drug created at October 21, 2016 00:08 / Updated at February 21, 2021 18:53