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

General Information of Drug (ID: DR5468)
Drug Name
Leucovorin Calcium
Synonyms Leucovorin Calcium Preservative Free; Wellcovorin
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 511.5 Topological Polar Surface Area 221
Heavy Atom Count 35 Rotatable Bond Count 7
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
135403647
ChEBI ID
CHEBI:31340
CAS Number
1492-18-8
TTD Drug ID
D0B6TW
Formula
C20H21CaN7O7
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-].[Ca+2]
InChI
InChI=1S/C20H23N7O7.Ca/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);/q;+2/p-2/t12?,13-;/m0./s1
InChIKey
KVUAALJSMIVURS-ZEDZUCNESA-L
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
MR008760 Leucovorin Calcium 5,10-methenyltetrahydrofolate Unclear - Unclear Unclear [2]
MR008761 5,10-methenyltetrahydrofolate 5,10-methylenetetrahydrofolate Unclear - Unclear Unclear [2]
MR008762 5,10-methylenetetrahydrofolate 5-Methyltetrahydrofolate Unclear - Unclear Unclear [2]
MR008763 5-Methyltetrahydrofolate Tetrahydrofolate Unclear - Unclear Unclear [2]
MR008764 Tetrahydrofolate 10-formyltetrahydrofolate Unclear - Unclear Unclear [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
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.