Leucovorin

Details

• Internal ID: a8d48ac2-28ef-4554-b267-516acaa3e638
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives
• IUPAC Name: (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
• SMILES (Canonical): 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
• SMILES (Isomeric): 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
• InChI Key: VVIAGPKUTFNRDU-ABLWVSNPSA-N
• Popularity: 14,414 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₃N₇O₇
• Molecular Weight: 473.40 g/mol
• Exact Mass: 473.16589610 g/mol
• Topological Polar Surface Area (TPSA): 216.00 Ų
• XlogP: -1.20

Synonyms

• leucovorin
• 5-Formyltetrahydrofolic acid
• folinate
• 58-05-9
• Welcovorin
• Leucal
• Acide folinique
• Folinic acid-SF
• Leucoverin
• 5-Formyl-5,6,7,8-tetrahydrofolic acid
• N5-Formyltetrahydrofolic acid
• UNII-Q573I9DVLP
• Q573I9DVLP
• 5-formyltetrahydrofolate
• CHEBI:15640
• N5-Formyl-5,6,7,8-tetrahydrofolic acid
• HSDB 6544
• EINECS 200-361-6
• 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid
• (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate
• L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-
• N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
• Leukovorin
• Leukovorum
• 1492-18-8
• [3H]folinic acid
• NSC3590
• Leucovorinum (acid)
• Leucovorin [USAN]
• CHEMBL69905
• 5-Formyl-tetrahydrofolate
• Leucovorinum
• Acido folinico
• 5-Formyltetrahydropteroylglutamic acid
• Citrovoeum factor
• L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid
• L-(+)-Folinic acid
• Spectrum_000859
• Prestwick0_000738
• Prestwick1_000738
• Prestwick2_000738
• Prestwick3_000738
• Spectrum2_000116
• Spectrum3_000479
• Spectrum4_000031
• Spectrum5_000910
• LEUCOVORIN [HSDB]
• LEUCOVORIN [VANDF]
• FOLINIC ACID [MI]
• SCHEMBL8349
• CHEMBL1679
• 5-formyltetrahydro-folic acid
• BSPBio_000696
• BSPBio_002218
• KBioGR_000461
• KBioSS_001339
• DivK1c_000222
• FOLINIC ACID [MART.]
• SPBio_000132
• SPBio_002635
• FOLINIC ACID [WHO-DD]
• BPBio1_000766
• GTPL4816
• GTPL6690
• DTXSID0048216
• SCHEMBL10068238
• KBio1_000222
• KBio2_001339
• KBio2_003907
• KBio2_006475
• KBio3_001438
• NINDS_000222
• DW385
• BDBM50039121
• MFCD00867488
• s5790
• AKOS015961207
• DB00650
• IDI1_000222
• AC-13429
• HY-17556
• SBI-0051427.P003
• SD-204098
• D93089
• EN300-27068710
• BRD-A75919782-238-01-8
• Q45435667
• (2S)-2-(4-((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid
• (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
• (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
• (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
• (S)-2-{4-[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
• 2-{4-[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
• Glutamic acid, N-(p-(((2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-
• L-Glutamic acid, N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
• N-(P-((((6RS)-2-AMINO-5-FORMYL-5,6,7,8-TETRAHYDRO-4-HYDROXY-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-GLUTAMATE
• N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
• N-[4-[[(2-Amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6(RS)-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	99.70%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	95.84%	90.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	93.85%	99.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.62%	99.17%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	91.82%	93.10%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.04%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.42%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.31%	96.09%
CHEMBL1829	O15379	Histone deacetylase 3	88.04%	95.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.61%	97.09%
CHEMBL1781	P11387	DNA topoisomerase I	86.53%	97.00%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.43%	96.90%
CHEMBL3232685	O00257	E3 SUMO-protein ligase CBX4	83.20%	93.00%
CHEMBL1255126	O15151	Protein Mdm4	82.83%	90.20%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.47%	93.00%
CHEMBL340	P08684	Cytochrome P450 3A4	80.23%	91.19%

Plants that contains it

• Capsicum annuum

Cross-Links

• PubChem: 135403648
• LOTUS: LTS0239132
• wikiData: Q45435667