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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1431
CHEMBL1431
Compound Name METFORMIN
ChEMBL Synonyms METFORMIN | Janumet | FORTAMET | LA-6023 | GLUMETZA | Glucophage xr | GLUCOPHAGE | RIOMET | METFORMIN HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names GLUMETZA | Metformin hydrochloride | Glucophage xr | FORTAMET | GLUCOPHAGE | RIOMET | Janumet
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
BRAIN NEOPLASMSD001932EFO:0003833BRAIN NEOPLASM3ClinicalTrials
BREAST NEOPLASMSD001943EFO:0000305BREAST CARCINOMA3ClinicalTrials
ClinicalTrials
BREAST NEOPLASMSD001943EFO:0003869BREAST NEOPLASM2ClinicalTrials
DIABETES MELLITUS, TYPE 1D003922EFO:0001359TYPE I DIABETES MELLITUS3ClinicalTrials
HYPERPLASIAD006965EFO:0000536HYPERPLASIA0ClinicalTrials
LUNG NEOPLASMSD008175EFO:0001071LUNG CARCINOMA2ClinicalTrials
NON-ALCOHOLIC FATTY LIVER DISEASED065626EFO:0003095NON-ALCOHOLIC FATTY LIVER DISEASE1ClinicalTrials
ADENOMATOUS POLYPOSIS COLID011125Orphanet:733FAMILIAL ADENOMATOUS POLYPOSIS2ClinicalTrials
CARCINOMA, NON-SMALL-CELL LUNGD002289EFO:0003060NON-SMALL CELL LUNG CARCINOMA2ClinicalTrials
DIABETES MELLITUSD003920EFO:0000400DIABETES MELLITUS4ATC
ClinicalTrials
ClinicalTrials
PERIODONTITISD010518EFO:0000649PERIODONTITIS2ClinicalTrials
RECTAL NEOPLASMSD012004EFO:1000657RECTUM CANCER2ClinicalTrials
BIPOLAR DISORDERD001714EFO:0000289BIPOLAR DISORDER3ClinicalTrials
DIABETES, GESTATIONALD016640EFO:0004593GESTATIONAL DIABETES3ClinicalTrials
FATTY LIVERD005234HP:0001397HEPATIC STEATOSIS3ClinicalTrials
HYPERTENSION, PULMONARYD006976EFO:0001361PULMONARY HYPERTENSION2ClinicalTrials
LEUKEMIA, LYMPHOCYTIC, CHRONIC, B-CELLD015451EFO:0000095CHRONIC LYMPHOCYTIC LEUKEMIA2ClinicalTrials
LYMPHOMA, LARGE B-CELL, DIFFUSED016403EFO:0000403DIFFUSE LARGE B-CELL LYMPHOMA2ClinicalTrials
MACULAR DEGENERATIOND008268EFO:0001365AGE-RELATED MACULAR DEGENERATION2ClinicalTrials
ATRIAL FIBRILLATIOND001281EFO:0000275ATRIAL FIBRILLATION2ClinicalTrials
DIABETIC FOOTD017719EFO:1001459DIABETIC FOOT2ClinicalTrials
ClinicalTrials
ENDOMETRIAL NEOPLASMSD016889EFO:0004230ENDOMETRIAL NEOPLASM2ClinicalTrials
MELANOMAD008545EFO:0002617METASTATIC MELANOMA2ClinicalTrials
METABOLIC SYNDROME XD024821EFO:0000195METABOLIC SYNDROME3ClinicalTrials
ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0000196METASTATIC PROSTATE CANCER3ClinicalTrials
CARCINOMA, SQUAMOUS CELLD002294EFO:0000181HEAD AND NECK SQUAMOUS CELL CARCINOMA1ClinicalTrials
COLORECTAL NEOPLASMSD015179EFO:0000365COLORECTAL ADENOCARCINOMA2ClinicalTrials
DIABETES MELLITUS, TYPE 2D003924EFO:0001360TYPE II DIABETES MELLITUS4DailyMed
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DIABETIC RETINOPATHYD003930EFO:0003770DIABETIC RETINOPATHY0ClinicalTrials
HIV INFECTIONSD015658EFO:0000764HIV INFECTION1ClinicalTrials
LI-FRAUMENI SYNDROMED016864Orphanet:524LI-FRAUMENI SYNDROME1ClinicalTrials
PERITONEAL NEOPLASMSD010534EFO:1001100PERITONEAL NEOPLASM2ClinicalTrials
GLIOBLASTOMAD005909EFO:0000519GLIOBLASTOMA MULTIFORME2ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER2ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM2ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0000673PROSTATE ADENOCARCINOMA3ClinicalTrials
ClinicalTrials
WEIGHT GAIND015430EFO:0004566BODY WEIGHT GAIN2ClinicalTrials
PANCREATIC NEOPLASMSD010190EFO:0002618PANCREATIC CARCINOMA1ClinicalTrials
CARCINOMA, SQUAMOUS CELLD002294EFO:0000707SQUAMOUS CELL CARCINOMA1ClinicalTrials
MIGRAINE DISORDERSD008881EFO:0003821MIGRAINE DISORDER3ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA3ClinicalTrials
ClinicalTrials
ADENOCARCINOMAD000230EFO:0000228ADENOCARCINOMA2ClinicalTrials
MILD COGNITIVE IMPAIRMENTD060825HP:0100543COGNITIVE IMPAIRMENT2ClinicalTrials
OBESITYD009765EFO:0001073OBESITY3ClinicalTrials
ClinicalTrials
POLYCYSTIC OVARY SYNDROMED011085EFO:0000660POLYCYSTIC OVARY SYNDROME3ClinicalTrials
RENAL INSUFFICIENCY, CHRONICD051436EFO:0003884CHRONIC KIDNEY DISEASE2ClinicalTrials

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 -0.74 3 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 0.3

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
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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