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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1431
CHEMBL1431
Compound Name METFORMIN
ChEMBL Synonyms GLUMETZA | DIAGEMET XL | METABET SR | SUKKARTO SR | GLUCOPHAGE SR | MILFORM | GLUCIENT SR | METSOL | LEDERMETIN | GLUCAMET 500 | FORTAMET | RIOMET | ORABET | GLYFORMIN | GLUCOPHAGE XR | GLUCOPHAGE | BOLAMYN SR | LA-6023 | GLUCAMET 850 | METFORMIN | METFORMIN HYDROCHLORIDE | Janumet
Max Phase 4 (Approved)
Trade Names DIAGEMET XL | GLUMETZA | METABET SR | GLUCOPHAGE SR | SUKKARTO SR | MILFORM | GLUCIENT SR | FORTAMET | GLUCAMET 500 | LEDERMETIN | METSOL | BOLAMYN SR | GLUCOPHAGE | GLUCOPHAGE XR | GLYFORMIN | ORABET | RIOMET | GLUCAMET 850 | Janumet | METFORMIN HYDROCHLORIDE
Molecular Formula C4H11N5

Additional synonyms for CHEMBL1431 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=N)NC(=N)N
Standard InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
Standard InChI Key XZWYZXLIPXDOLR-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1431

Molecule Features

CHEMBL1431 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mitochondrial complex I (NADH dehydrogenase) inhibitor Mitochondrial complex I (NADH dehydrogenase) PubMed PubMed PubMed
Mitochondrial glycerol-3-phosphate dehydrogenase inhibitor Mitochondrial glycerol-3-phosphate dehydrogenase PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AdenocarcinomaD000230EFO:0000228adenocarcinoma2ClinicalTrials
Colonic NeoplasmsD003110EFO:1001950colon carcinoma2ClinicalTrials
ClinicalTrials
Colorectal NeoplasmsD015179EFO:0004142colorectal neoplasm3ClinicalTrials
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus3ClinicalTrials
Endometrial NeoplasmsD016889EFO:0004230endometrial neoplasm2ClinicalTrials
HIV-Associated Lipodystrophy SyndromeD039682EFO:1001348HIV-Associated Lipodystrophy Syndrome2ClinicalTrials
HyperplasiaD006965EFO:0000536hyperplasia0ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma2ClinicalTrials
Uterine Cervical NeoplasmsD002583EFO:0001416cervical adenocarcinoma2ClinicalTrials
Carcinoma, Large CellD018287EFO:0003050large cell lung carcinoma2ClinicalTrials
Barrett EsophagusD001471EFO:0000280Barrett's esophagus0ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme2ClinicalTrials
HepatitisD006505HP:0012115hepatitis2ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma2ClinicalTrials
Muscular Dystrophy, DuchenneD020388Orphanet:98896Duchenne muscular dystrophy1ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
ClinicalTrials
PeriodontitisD010518EFO:0000649periodontitis2ClinicalTrials
Polycystic Ovary SyndromeD011085EFO:0000660polycystic ovary syndrome3ClinicalTrials
Fanconi AnemiaD005199Orphanet:84Fanconi anemia2ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm2ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000181head and neck squamous cell carcinoma2ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease0ClinicalTrials
MelanomaD008545EFO:0002617metastatic melanoma2ClinicalTrials
Metabolic DiseasesD008659EFO:0000589metabolic disease3ClinicalTrials
Non-alcoholic Fatty Liver DiseaseD065626EFO:0003095non-alcoholic fatty liver disease2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000708squamous cell lung carcinoma2ClinicalTrials
Adenomatous Polyposis ColiD011125Orphanet:733Familial adenomatous polyposis2ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma2ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma3ClinicalTrials
Diabetes Insipidus, NeurogenicD020790HP:0000863Central diabetes insipidus1ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
Muscular DystrophiesD009136Orphanet:98473Muscular dystrophy3ClinicalTrials
Peripheral Arterial DiseaseD058729EFO:0004265peripheral arterial disease3ClinicalTrials
Peritoneal NeoplasmsD010534EFO:1001100peritoneal neoplasm2ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease2ClinicalTrials
Heart FailureD006333EFO:0003144heart failure2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment2ClinicalTrials
Diabetic RetinopathyD003930EFO:0003770diabetic retinopathy0ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia1ClinicalTrials
ClinicalTrials
InfertilityD007246EFO:0000545infertility3ClinicalTrials
Metabolic SyndromeD024821EFO:0000195metabolic syndrome3ClinicalTrials
ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
Polycystic Kidney, Autosomal DominantD016891EFO:1001496Autosomal dominant polycystic kidney disease2ClinicalTrials
PregnancyD011247EFO:0002950pregnancy2ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Weight GainD015430EFO:0004566body weight gain2ClinicalTrials
Adenocarcinoma, Bronchiolo-AlveolarD002282EFO:0000308bronchoalveolar adenocarcinoma2ClinicalTrials
Atrial FibrillationD001281EFO:0000275atrial fibrillation2ClinicalTrials
Brain NeoplasmsD001932EFO:0003833brain neoplasm3ClinicalTrials
Colorectal NeoplasmsD015179EFO:0000365colorectal adenocarcinoma3ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma3ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus4ClinicalTrials
FDA
Diabetes, GestationalD016640EFO:0004593gestational diabetes3ClinicalTrials
ClinicalTrials
Fatty LiverD005234HP:0001397Hepatic steatosis3ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain1ClinicalTrials
Non-alcoholic Fatty Liver DiseaseD065626EFO:1001249non-alcoholic steatohepatitis2ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia1ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000196metastatic prostate cancer3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma3ClinicalTrials
ClinicalTrials
PsoriasisD011565EFO:0000676psoriasis3ClinicalTrials
AgingD000375GO:0007568aging1ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus4ClinicalTrials
ATC
ClinicalTrials
Hypertension, PulmonaryD006976EFO:0001361pulmonary hypertension2ClinicalTrials
Lipid Metabolism DisordersD052439Orphanet:309005Disorder of lipid metabolism3ClinicalTrials
ObesityD009765EFO:0001073obesity3ClinicalTrials
ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0003860pancreatic neoplasm2ClinicalTrials
Prediabetic StateD011236EFO:1001121prediabetes syndrome3ClinicalTrials
Rectal NeoplasmsD012004EFO:1000657rectum cancer2ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis1ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder3ClinicalTrials
Diabetic FootD017719EFO:1001459diabetic foot2ClinicalTrials
ClinicalTrials
Heart Failure, SystolicD054143EFO:1001207systolic heart failure2ClinicalTrials
Li-Fraumeni SyndromeD016864Orphanet:524Li-Fraumeni syndrome1ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder3ClinicalTrials
Carcinoma, Pancreatic DuctalD021441EFO:0002517pancreatic ductal adenocarcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov METFORMIN
The Cochrane Collaboration METFORMIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
129.2 129.1014 -1.03 0 88.99 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 4 0 5 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.25 -1.25 -3.24 0 9 0.25

Structural Alerts

There are 4 structural alerts for CHEMBL1431. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A10 - DRUGS USED IN DIABETES
A10B - BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
A10BA - Biguanides
A10BA02 - metformin

ChemSpider ChemSpider:XZWYZXLIPXDOLR-UHFFFAOYSA-N
DailyMed metformin hydrochloride
PubChem SID: 11112469 SID: 137275802 SID: 144212687 SID: 174006543
Wikipedia Metformin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1431



ACToR 657-24-9
Atlas metformin
BindingDB 50229665 57047
ChEBI 6801
ChemicalBook CB0506294
DrugBank DB00331
DrugCentral 1725
eMolecules 26219491 10320221 661910
EPA CompTox Dashboard DTXSID2023270
FDA SRS 9100L32L2N
Guide to Pharmacology 4503 4779
Human Metabolome Database HMDB0001921
IBM Patent System 2EAEA01A117CF955AE00C39BBC6C3A2B
KEGG Ligand C07151
LINCS LSM-4730
Mcule MCULE-7393156510
MolPort MolPort-005-767-418 MolPort-002-929-560
Nikkaji J9.463C
PDBe MF8
PharmGKB PA450395
PubChem 4091
PubChem: Thomson Pharma 15297229
SureChEMBL SCHEMBL8944
ZINC ZINC000012859773

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