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 Hydrolase
- - - -
Enzyme Oxidoreductase
- - - 2370 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -56.9--1.75
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC19 family of vitamin transporters
- - - - 60
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - 8200 -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- - - 132000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomach Neoplasms 3 D013274 ClinicalTrials
Down Syndrome 3 D004314 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Carcinoma, Pancreatic Ductal 3 D021441 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Liver Neoplasms 3 D008113 ClinicalTrials
Nasopharyngeal Carcinoma 3 D000077274 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Adenocarcinoma 2 D000230 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Biliary Tract Diseases 2 D001660 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Asperger Syndrome 2 D020817 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Uterine Neoplasms 2 D014594 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Arthritis, Rheumatoid 1 D001172 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Neoplasm Metastasis 1 D009362 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 6006
SureChEMBL SCHEMBL8349
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