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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 LA-6023 | Janumet | Riomet | Fortamet | Glumetza | Metformin | Glucophage | Glucophage Xr | Metformin HCl
Max Phase 4 (Approved)
Trade Names Riomet | Janumet | Fortamet | Glumetza | Glucophage | Glucophage Xr | Metformin HCl
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

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mitochondrial complex I (NADH dehydrogenase) inhibitor Mitochondrial complex I (NADH dehydrogenase) PubMed PubMed

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL1431

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

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
eMolecules 26219491 10320221 661910
FDA SRS 9100L32L2N
Guide to Pharmacology 4503 4779
Human Metabolome Database HMDB01921
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
PubChem 4091
PubChem: Thomson Pharma 15297229
SureChEMBL SCHEMBL8944
ZINC ZINC12859773

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