Details of the Drug

General Information of Drug (ID: DMUAZWG)

Drug Name

Leucovorin

Synonyms

5-formyltetrahydrofolate; Citrovorum factor; Folinic acid

Indication

Disease Entry	ICD 11	Status	REF
Colon adenocarcinoma	N.A.	Approved	[1]
Pervasive developmental disorder	6A00-6A0Z	Approved	[1]
Rectal adenocarcinoma	2B92	Approved	[1]
Rectum mucinous adenocarcinoma	N.A.	Approved	[1]
Colon cancer	2B90.Z	Investigative	[1]
Colon mucinous adenocarcinoma	N.A.	Investigative	[1]
Megaloblastic anemia	N.A.	Investigative	[1]
Methotrexate toxicity	N.A.	Investigative	[1]
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⏷ Show the Full List of Indication(s)

Therapeutic Class

Vitamins

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

473.446

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Clearance: The drug present in the plasma can be removed from the body at the rate of 5.8 mL/min/kg [3]
Elimination: 10% of drug is excreted from urine in the unchanged form [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 6.2 hours [3]
Metabolism: The drug is metabolized via the hepatic []
Unbound Fraction: The unbound fraction of drug in plasma is 0.087% [3]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.25 L/kg [3]
Water Solubility: The ability of drug to dissolve in water is measured as 500 mg/mL [2]

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)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

Cross-matching ID

Combinatorial Drugs (CBD)

Repurposed Drugs (RPD)

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 3 (ABCC3)	DTQ3ZHF	MRP3_HUMAN	Substrate	[4]
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[5]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[6]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Leucovorin FDA Label
2	BDDCS applied to over 900 drugs
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Transport of methotrexate (MTX) and folates by multidrug resistance protein (MRP) 3 and MRP1: effect of polyglutamylation on MTX transport. Cancer Res. 2001 Oct 1;61(19):7225-32.
5	Transport of methotrexate, methotrexate polyglutamates, and 17beta-estradiol 17-(beta-D-glucuronide) by ABCG2: effects of acquired mutations at R482 on methotrexate transport. Cancer Res. 2003 Jul 15;63(14):4048-54.
6	Analysis of methotrexate and folate transport by multidrug resistance protein 4 (ABCC4): MRP4 is a component of the methotrexate efflux system. Cancer Res. 2002 Jun 1;62(11):3144-50.