Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5498)
Drug Name
Leucovorin
Synonyms 5-formyltetrahydrofolate; Citrovorum factor; Folinic acid
Indication Colorectal cancer [ICD11: 2B91] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 473.446 Topological Polar Surface Area 216
Heavy Atom Count 34 Rotatable Bond Count 9
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
135403648
ChEBI ID
CHEBI:15640
CAS Number
58-05-9
Formula
C20H23N7O7
Canonical SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
5,10-methenyltetrahydrofolate DM017476 N. A. Unclear - Unclear 1 [2]
5,10-methylenetetrahydrofolate DM017477 N. A. Unclear - Unclear 2 [2]
5-Methyltetrahydrofolate DM002051
135483998
Unclear - Unclear 3 [2]
Tetrahydrofolate DM017478 N. A. Unclear - Unclear 4 [2]
10-formyltetrahydrofolate DM017479 N. A. Unclear - Unclear 5 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008765 Leucovorin 5,10-methenyltetrahydrofolate Unclear - Unclear Unclear [2]
MR008766 5,10-methenyltetrahydrofolate 5,10-methylenetetrahydrofolate Unclear - Unclear Unclear [2]
MR008767 5,10-methylenetetrahydrofolate 5-Methyltetrahydrofolate Unclear - Unclear Unclear [2]
MR008768 5-Methyltetrahydrofolate Tetrahydrofolate Unclear - Unclear Unclear [2]
MR008769 Tetrahydrofolate 10-formyltetrahydrofolate Unclear - Unclear Unclear [2]
References
1 Leucovorin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Disposition of leucovorin and its metabolites in dietary folic acid-deplete mice - comparison between tumor, liver, and plasma

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.