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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1456
CHEMBL1456
Compound Name MYCOPHENOLATE MOFETIL
ChEMBL Synonyms RS-61443 | MYFENAX | MYCOPHENOLATE MOFETIL | CELLCEPT | RS-61443-190 | MYCOPHENOLATE MOFETIL HYDROCHLORIDE | ARZIP
Max Phase 4 (Approved)
Trade Names ARZIP | MYCOPHENOLATE MOFETIL | MYFENAX | CELLCEPT | MYCOPHENOLATE MOFETIL HYDROCHLORIDE
Molecular Formula C23H31NO7

Additional synonyms for CHEMBL1456 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)OCCN3CCOCC3
Standard InChI InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9- ...
Download InChI
Standard InChI Key RTGDFNSFWBGLEC-SYZQJQIISA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1456

Molecule Features

CHEMBL1456 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor Inosine-5'-monophosphate dehydrogenase (IMPDH) DailyMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma3ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease3ClinicalTrials
DiGeorge SyndromeD004062Orphanet:56722q11.2 deletion syndrome1ClinicalTrials
Fanconi AnemiaD005199Orphanet:84Fanconi anemia2ClinicalTrials
Glomerulonephritis, IGAD005922EFO:0004194IGA glomerulonephritis3ClinicalTrials
Granulomatosis with PolyangiitisD014890EFO:0005297Wegener's granulomatosis3ClinicalTrials
Leukemia, Myelomonocytic, JuvenileD054429EFO:1000309Juvenile Myelomonocytic Leukemia2ClinicalTrials
MelanomaD008545EFO:0000389cutaneous melanoma2ClinicalTrials
Microscopic PolyangiitisD055953EFO:1000784microscopic polyangiitis3ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm3ClinicalTrials
Scleroderma, SystemicD012595EFO:0000717systemic scleroderma2ClinicalTrials
Autoimmune DiseasesD001327EFO:0005140autoimmune disease2ClinicalTrials
Epidermolysis BullosaD004820EFO:1000690epidermolysis bullosa2ClinicalTrials
GoutD006073EFO:0004274gout2ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
LeukemiaD007938EFO:0000565leukemia2ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
Purpura, Schoenlein-HenochD011695EFO:1000965Henoch-Schoenlein purpura2ClinicalTrials
VasculitisD014657EFO:0006803vasculitis2ClinicalTrials
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia2ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma2ClinicalTrials
Glomerulosclerosis, Focal SegmentalD005923EFO:0004236focal segmental glomerulosclerosis3ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection3ClinicalTrials
Liver DiseasesD008107EFO:0001421liver disease2ClinicalTrials
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus3ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma3ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia2ClinicalTrials
Anemia, AplasticD000741EFO:0006927severe aplastic anemia2ClinicalTrials
Cytomegalovirus InfectionsD003586EFO:0001062cytomegalovirus infection3ClinicalTrials
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus3ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease3ClinicalTrials
Hematologic NeoplasmsD019337EFO:0001642lymphoid neoplasm2ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease3ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
Lung Diseases, InterstitialD017563EFO:0004244interstitial lung disease3ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
Purpura, Thrombocytopenic, IdiopathicD016553EFO:0007160autoimmune thrombocytopenic purpura3ClinicalTrials
beta-ThalassemiaD017086Orphanet:848Beta-thalassemia1ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis2ClinicalTrials
Anemia, AplasticD000741HP:0001915aplastic anemia2ClinicalTrials
Crohn DiseaseD003424EFO:0000384Crohn's disease2ClinicalTrials
Glomerulonephritis, MembranousD015433EFO:0004254membranous glomerulonephritis3ClinicalTrials
Hematologic DiseasesD006402HP:0001871abnormality of blood and blood-forming tissues2ClinicalTrials
Hepatitis, AlcoholicD006519EFO:1001345Hepatitis, Alcoholic2ClinicalTrials
Leukemia, Prolymphocytic, B-CellD054403EFO:1000102B-Cell Prolymphocytic Leukemia2ClinicalTrials
Nephrotic SyndromeD009404EFO:0004255nephrotic syndrome3ClinicalTrials
PsoriasisD011565EFO:0000676psoriasis2ClinicalTrials
Sarcoidosis, PulmonaryD017565DOID:13406pulmonary sarcoidosis3ClinicalTrials
Scleroderma, DiffuseD045743EFO:0000404diffuse scleroderma1ClinicalTrials
UveitisD014605EFO:1001231uveitis3ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease3ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma3ClinicalTrials
Lecithin Cholesterol Acyltransferase DeficiencyD007863Orphanet:79292Fish-eye disease1ClinicalTrials
Myasthenia GravisD009157EFO:0004991Myasthenia gravis3ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma2ClinicalTrials
Neuronal Ceroid-LipofuscinosesD009472Orphanet:79264Juvenile neuronal ceroid lipofuscinosis2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma1ClinicalTrials
Sezary SyndromeD012751EFO:1000785Sezary's disease1ClinicalTrials
Hyperlipoproteinemia Type ID008072Orphanet:309015Familial lipoprotein lipase deficiency2ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL PositiveD015464EFO:0000339chronic myelogenous leukemia2ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
Mycosis FungoidesD009182EFO:1001051mycosis fungoides1ClinicalTrials
PemphigusD010392EFO:0004719pemphigus vulgaris3ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease2ClinicalTrials
Takayasu ArteritisD013625EFO:1001857Takayasu arteritis3ClinicalTrials
Anti-Neutrophil Cytoplasmic Antibody-Associated VasculitisD056648EFO:0004826anti-neutrophil antibody associated vasculitis3ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Leukemia, Prolymphocytic, T-CellD015461EFO:1000560T-Cell Prolymphocytic Leukemia2ClinicalTrials
Lupus NephritisD008181EFO:0005761lupus nephritis3ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma2ClinicalTrials
PolyradiculopathyD011128EFO:0007196Cauda equina syndrome3ClinicalTrials
Primary MyelofibrosisD055728EFO:0002430primary myelofibrosis2ClinicalTrials
Sjogren's SyndromeD012859EFO:0000699Sjogren syndrome2ClinicalTrials

Clinical Data

ClinicalTrials.gov MYCOPHENOLATE MOFETIL
The Cochrane Collaboration MYCOPHENOLATE MOFETIL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1456. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1822 Inosine-5'-monophosphate dehydrogenase 1 Homo sapiens 1.000
CHEMBL2002 Inosine-5'-monophosphate dehydrogenase 2 Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2002 Inosine-5'-monophosphate dehydrogenase 2 Homo sapiens 1.000
CHEMBL1822 Inosine-5'-monophosphate dehydrogenase 1 Homo sapiens 1.000
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.277
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.220

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
433.5 433.2101 2.52 9 94.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.87 6 3.69 3.67 1 31 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL1456. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RTGDFNSFWBGLEC-SYZQJQIISA-N
DailyMed mycophenolate mofetil mycophenolate mofetil hydrochloride
PubChem SID: 144205239 SID: 170464859 SID: 29215409
Wikipedia Mycophenolate_mofetil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1456



ACToR 128794-94-5 115007-34-6
Brenda 161549 13198
ChEBI 8764
ChemicalBook CB2663335
DrugBank DB00688
DrugCentral 1859
EPA CompTox Dashboard DTXSID3023340
FDA SRS 9242ECW6R0
Guide to Pharmacology 6831
Human Metabolome Database HMDB0014826
IBM Patent System 868806F39E175F7BBF5D73F735426E54
KEGG Ligand C07908
LINCS LSM-43041
MolPort MolPort-000-883-800
Nikkaji J378.713C
PharmGKB PA450566
PubChem 5281078
PubChem: Drugs of the Future 12014254
PubChem: Thomson Pharma 14758955
Selleck Mycophenolate-mofetil-(CellCept)
SureChEMBL SCHEMBL4195
ZINC ZINC000021297660

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RTGDFNSFWBGLEC-SYZQJQIISA-N spacer
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