LEUCOVORIN

Search structure
Synonyms:
Status: Approved (1952)
Entry Type: Small molecule
Molecule Category: Parent
UNII: Q573I9DVLP

Structure
InChI Key VVIAGPKUTFNRDU-ABLWVSNPSA-N
Smile Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N7O7
Molecular Weight 473.45
AlogP -0.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 219.84
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 2370 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC19 family of vitamin transporters
- - - - 60

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 3 D015179 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Nasopharyngeal Neoplasms 3 D009303 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Adenocarcinoma 2 D000230 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Biliary Tract Diseases 2 D001660 ClinicalTrials
Arthritis, Rheumatoid 1 D001172 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 58-05-9
ChEBI 15640
ChEMBL CHEMBL1679
DrugBank DB00650
DrugCentral 1232
EPA CompTox DTXSID0048216
FDA SRS Q573I9DVLP
Guide to Pharmacology 4816
PharmGKB PA450198
PubChem 135403648
SureChEMBL SCHEMBL8349
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