Dihydrofolic Acid
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Identification
- Generic Name
- Dihydrofolic Acid
- DrugBank Accession Number
- DB02015
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 443.4133
Monoisotopic: 443.155331439 - Chemical Formula
- C19H21N7O6
- Synonyms
- Not Available
- External IDs
- NSC-165989
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) UPutative pteridine reductase 2 Not Available Trypanosoma cruzi - 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
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.
- Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Biopar delta-FORTE Dihydrofolic Acid (1 mg/1) + Cobalamin (50 ug/1) + Cobamamide (50 ug/1) + Gastric intrinsic factor (50 mg/1) + Levoleucovorin (2.5 mg/1) + Levomefolate magnesium (7 mg/1) Capsule Oral Jaymac Pharma 2023-06-01 Not applicable US EnLyte Extra-LN Dihydrofolic Acid (1 mg/1) + Cobamamide (25 ug/1) + Gastric intrinsic factor (25 mg/1) + Mecobalamin (25 ug/1) Capsule Oral Jaymac Pharmacueticals LLC 2019-12-16 Not applicable US
Categories
- Drug Categories
- Not Available
- 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 / Pterins and derivatives / Aminobenzamides / Benzoyl derivatives / Phenylalkylamines / Aniline and substituted anilines / Secondary alkylarylamines / Hydroxypyrimidines / Dicarboxylic acids and derivatives show 11 more
- Substituents
- Amine / Amino acid / Aminobenzamide / Aminobenzoic acid or derivatives / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives show 32 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- dihydrofolic acids (CHEBI:15633)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KXP0KNM559
- CAS number
- 4033-27-6
- InChI Key
- OZRNSSUDZOLUSN-LBPRGKRZSA-N
- InChI
- InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
- IUPAC Name
- (2S)-2-[(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
- SMILES
- NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001056
- KEGG Compound
- C00415
- PubChem Compound
- 98792
- PubChem Substance
- 46508318
- ChemSpider
- 89228
- BindingDB
- 18044
- ChEBI
- 15633
- ChEMBL
- CHEMBL46294
- ZINC
- ZINC000004228265
- PDBe Ligand
- DHF
- PDB Entries
- 1lcb / 1mxh / 1rf7 / 1tys / 2rk1 / 3dl5 / 3dl6 / 3frd / 4dpd / 4ez8 … show 7 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.148 mg/mL ALOGPS logP -1 ALOGPS logP -1.4 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 3.37 Chemaxon pKa (Strongest Basic) 2.09 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 207.6 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 121.19 m3·mol-1 Chemaxon Polarizability 44.38 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 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 - 0.705 Blood Brain Barrier - 0.5071 Caco-2 permeable - 0.8281 P-glycoprotein substrate Substrate 0.7761 P-glycoprotein inhibitor I Non-inhibitor 0.9644 P-glycoprotein inhibitor II Non-inhibitor 0.9913 Renal organic cation transporter Non-inhibitor 0.7889 CYP450 2C9 substrate Non-substrate 0.7716 CYP450 2D6 substrate Non-substrate 0.7893 CYP450 3A4 substrate Non-substrate 0.6094 CYP450 1A2 substrate Non-inhibitor 0.8946 CYP450 2C9 inhibitor Non-inhibitor 0.9234 CYP450 2D6 inhibitor Non-inhibitor 0.9149 CYP450 2C19 inhibitor Non-inhibitor 0.9179 CYP450 3A4 inhibitor Non-inhibitor 0.9163 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9818 Ames test Non AMES toxic 0.7655 Carcinogenicity Non-carcinogens 0.9417 Biodegradation Not ready biodegradable 0.9719 Rat acute toxicity 2.5993 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9649 hERG inhibition (predictor II) Non-inhibitor 0.5959
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 238.5727158 predictedDarkChem Lite v0.1.0 [M-H]- 197.2689064 predictedDarkChem Standard v0.1.0 [M-H]- 238.6270158 predictedDarkChem Lite v0.1.0 [M-H]- 197.6737 predictedDeepCCS 1.0 (2019) [M-H]- 238.5727158 predictedDarkChem Lite v0.1.0 [M-H]- 197.2689064 predictedDarkChem Standard v0.1.0 [M-H]- 238.6270158 predictedDarkChem Lite v0.1.0 [M-H]- 197.6737 predictedDeepCCS 1.0 (2019) [M+H]+ 238.0929158 predictedDarkChem Lite v0.1.0 [M+H]+ 237.6573158 predictedDarkChem Lite v0.1.0 [M+H]+ 237.7870158 predictedDarkChem Lite v0.1.0 [M+H]+ 200.06926 predictedDeepCCS 1.0 (2019) [M+H]+ 238.0929158 predictedDarkChem Lite v0.1.0 [M+H]+ 237.6573158 predictedDarkChem Lite v0.1.0 [M+H]+ 237.7870158 predictedDarkChem Lite v0.1.0 [M+H]+ 200.06926 predictedDeepCCS 1.0 (2019) [M+Na]+ 239.1099158 predictedDarkChem Lite v0.1.0 [M+Na]+ 239.9913158 predictedDarkChem Lite v0.1.0 [M+Na]+ 238.8150158 predictedDarkChem Lite v0.1.0 [M+Na]+ 206.08345 predictedDeepCCS 1.0 (2019) [M+Na]+ 239.1099158 predictedDarkChem Lite v0.1.0 [M+Na]+ 239.9913158 predictedDarkChem Lite v0.1.0 [M+Na]+ 238.8150158 predictedDarkChem Lite v0.1.0 [M+Na]+ 206.08345 predictedDeepCCS 1.0 (2019)
Targets
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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
2. DetailsPutative pteridine reductase 2
- Kind
- Protein
- Organism
- Trypanosoma cruzi
- Pharmacological action
- Unknown
- General Function
- Oxidoreductase activity
- Specific Function
- Not Available
- Gene Name
- ptr2
- Uniprot ID
- Q8I814
- Uniprot Name
- Putative pteridine reductase 2
- Molecular Weight
- 29204.015 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52