Details of the Drug

General Information of Drug (ID: DME0XHN)

Drug Name
[3H]folinic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 473.4
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C20H23N7O7
IUPAC Name
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Canonical SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
InChIKey
VVIAGPKUTFNRDU-ABLWVSNPSA-N
Cross-matching ID
PubChem CID
135403648
ChEBI ID
CHEBI:15640
CAS Number
58-05-9
UNII
Q573I9DVLP
DrugBank ID
DB00650
TTD ID
D0R4PS
ACDINA ID
D00357

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proton-coupled folate transporter (SLC46A1) TTY8Z2E PCFT_HUMAN Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Dihydrofolate reductase (DHFR) OT3DVIGM DYR_HUMAN Gene/Protein Processing [3]
Organic anion transporter 3 (SLC22A8) OT8BY933 S22A8_HUMAN Regulation of Drug Effects [4]
Proton-coupled folate transporter (SLC46A1) OT049V7Y PCFT_HUMAN Gene/Protein Processing [5]
Solute carrier family 22 member 6 (SLC22A6) OTKRCBVM S22A6_HUMAN Regulation of Drug Effects [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
FD&C blue no. 1 E00263 19700 Colorant
Hydrochloric acid E00015 313 Acidulant
Quinoline yellow WS E00309 24671 Colorant
Carmellose sodium E00625 Not Available Disintegrant
Lactose monohydrate E00393 104938 Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate E00208 11177 lubricant
Povidone E00667 Not Available Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Silicon dioxide E00670 Not Available Anticaking agent; Opacifying agent; Viscosity-controlling agent
Sodium chloride E00077 5234 Diluent; Tonicity agent
Sodium hydroxide E00234 14798 Alkalizing agent
Cellulose microcrystalline E00698 Not Available Adsorbent; Suspending agent; Diluent
⏷ Show the Full List of 11 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Leucovorin 15 mg tablet 15 mg Oral Tablet Oral
Leucovorin 25 mg tablet 25 mg Oral Tablet Oral
Leucovorin Calcium 10mg lyophilized powder 10mg Lyophilized Powder Intravenous; Intramuscular
Leucovorin Calcium 15mg lyophilized powder 15mg Lyophilized Powder Intravenous; Intramuscular
Leucovorin Calcium 5mg lyophilized powder 5mg Lyophilized Powder Intravenous; Intramuscular
Leucovorin 10 mg tablet 10 mg Oral Tablet Oral
Leucovorin 5 mg tablet 5 mg Oral Tablet Oral
Leucovorin Calcium 100mg/10ml lyophilized powder 100mg/10ml Lyophilized Powder Intravenous; Intramuscular
Leucovorin Calcium 200mg/20ml lyophilized powder 200mg/20ml Lyophilized Powder Intravenous; Intramuscular
Leucovorin Calcium 350mg/17.5ml lyophilized powder 350mg/17.5ml Lyophilized Powder Intravenous; Intramuscular
Leucovorin Calcium 50mg/5ml lyophilized powder 50mg/5ml Lyophilized Powder Intravenous; Intramuscular
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6690).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1213).
3 Leucovorin-induced resistance against FDH growth suppressor effects occurs through DHFR up-regulation. Biochem Pharmacol. 2006 Jul 14;72(2):256-66.
4 Human organic anion transporter hOAT3 is a potent transporter of cephalosporin antibiotics, in comparison with hOAT1. Biochem Pharmacol. 2005 Oct 1;70(7):1104-13.
5 Functional characterization of human proton-coupled folate transporter/heme carrier protein 1 heterologously expressed in mammalian cells as a folate transporter. J Pharmacol Exp Ther. 2007 Aug;322(2):469-76. doi: 10.1124/jpet.107.122606. Epub 2007 May 2.