LEUCOVORIN CALCIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1952)
Entry Type: Small molecule
Molecule Category: Salt
UNII: RPR1R4C0P4
Parent Compound: LEUCOVORIN

Structure
InChI Key KVUAALJSMIVURS-ZEDZUCNESA-L
Smile Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21CaN7O7
Molecular Weight 511.51
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 Transferase
- - - - 30.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 80.81

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomach Neoplasms 3 D013274 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Leukemia, Biphenotypic, Acute 3 D015456 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Carcinoma 3 D002277 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Leukemia 3 D007938 ClinicalTrials
Lymphoma 3 D008223 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Down Syndrome 3 D004314 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Medulloblastoma 3 D008527 ClinicalTrials
Brain Neoplasms 3 D001932 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Biliary Tract Neoplasms 3 D001661 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Cholangiocarcinoma 3 D018281 ClinicalTrials
Neuroectodermal Tumors, Primitive 3 D018242 ClinicalTrials
Lymphoma, Non-Hodgkin 3 D008228 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Neoplasm Metastasis 3 D009362 ClinicalTrials
Cholangiocarcinoma 3 D018281 ClinicalTrials
Leukemia, Biphenotypic, Acute 3 D015456 ClinicalTrials
Pneumonia, Pneumocystis 3 D011020 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Brain Neoplasms 3 D001932 ClinicalTrials
Carcinoma, Neuroendocrine 3 D018278 ClinicalTrials
Liver Neoplasms 3 D008113 ClinicalTrials
Biliary Tract Neoplasms 3 D001661 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Choroid Plexus Neoplasms 3 D016545 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma 3 D054218 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Choriocarcinoma 3 D002822 ClinicalTrials
Hydatidiform Mole 3 D006828 ClinicalTrials
Colorectal Neoplasms, Hereditary Nonpolyposis 3 D003123 ClinicalTrials
Gestational Trophoblastic Disease 3 D031901 ClinicalTrials
Adenocarcinoma 3 D000230 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Leukemia, Lymphoid 3 D007945 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Adenocarcinoma 3 D000230 ClinicalTrials
Carcinoma, Pancreatic Ductal 3 D021441 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Nasopharyngeal Carcinoma 3 D000077274 ClinicalTrials
Gallbladder Neoplasms 2 D005706 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lymphoma, T-Cell, Peripheral 2 D016411 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Bile Duct Neoplasms 2 D001650 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Toxoplasmosis, Cerebral 2 D016781 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Histiocytosis, Langerhans-Cell 2 D006646 ClinicalTrials
Klatskin Tumor 2 D018285 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Uveitis 2 D014605 ClinicalTrials
Lymphoma, AIDS-Related 2 D016483 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Neoplasms, Plasma Cell 2 D054219 ClinicalTrials
Gallbladder Neoplasms 2 D005706 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Bile Duct Neoplasms 2 D001650 ClinicalTrials
Digestive System Neoplasms 2 D004067 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Burkitt Lymphoma 2 D002051 ClinicalTrials
Carcinoma, Islet Cell 2 D018273 ClinicalTrials
Carcinoid Tumor 2 D002276 ClinicalTrials
Appendiceal Neoplasms 2 D001063 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Lymphoma, Large-Cell, Anaplastic 2 D017728 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Asperger Syndrome 2 D020817 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Digestive System Neoplasms 2 D004067 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Myeloproliferative Disorders 1 D009196 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials
Oligodendroglioma 1 D009837 ClinicalTrials
Sandhoff Disease 1 D012497 ClinicalTrials
Tay-Sachs Disease 1 D013661 ClinicalTrials
Gastrointestinal Stromal Tumors 1 D046152 ClinicalTrials
Gangliosidoses, GM2 1 D020143 ClinicalTrials
Triple Negative Breast Neoplasms 1 D064726 ClinicalTrials
Spastic Paraplegia, Hereditary 1 D015419 ClinicalTrials
Toxoplasmosis 1 D014123 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Carcinoma, Merkel Cell 1 D015266 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
15.56
General disorders and administration site conditions
11.81
Blood and lymphatic system disorders
9.7
Vascular disorders
7.97
Nervous system disorders
7.3
Infections and infestations
7.25
Respiratory, thoracic and mediastinal disorders
6.17
Skin and subcutaneous tissue disorders
4.38
Injury, poisoning and procedural complications
4.11
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.3
Cardiac disorders
3.18
Musculoskeletal and connective tissue disorders
3.15
Metabolism and nutrition disorders
3.07
Investigations
2.64
Hepatobiliary disorders
2.55
Renal and urinary disorders
2.43

Cross References

Resources Reference
ChEBI 31340
ChEMBL CHEMBL1201138
EPA CompTox DTXSID20872448
FDA SRS RPR1R4C0P4
PubChem 78759347
SureChEMBL SCHEMBL18573
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