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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39736
CHEMBL39736
Compound Name BUFORMIN
ChEMBL Synonyms DBV | W 37 | Buformin | Buformin HCl
Max Phase 0
Trade Names
Molecular Formula C6H15N5

Additional synonyms for CHEMBL39736 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC\N=C(\N)/N=C(N)N
Standard InChI InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8 ...
Download InChI
Standard InChI Key XSEUMFJMFFMCIU-UHFFFAOYSA-N

Molecule Features

CHEMBL39736 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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 CHEMBL39736. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL39736

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 CHEMBL39736. 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
CHEMBL4471 Thrombin Bos taurus 0.993

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4471 Thrombin Bos taurus 0.998
CHEMBL2323 Cathepsin B Bos taurus 0.339
CHEMBL3795 Melanocortin receptor 1 Homo sapiens 0.222

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
157.2 157.1327 -0.27 4 102.77 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 13.2 .6 -1.4 0 11 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
A10BA03 - buformin

ChemSpider ChemSpider:XSEUMFJMFFMCIU-UHFFFAOYSA-N
PubChem SID: 144205717 SID: 170465982 SID: 26757952
Wikipedia Buformin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39736



ACToR 692-13-7
Atlas buformin
DrugBank DB04830
eMolecules 27517430 736618 23296957
FDA SRS W2115E9C7B
IBM Patent System A321DBE85A87F846DD7374C3365576A3
KEGG Ligand C07674
Mcule MCULE-5413481004
MolPort MolPort-006-841-193
Nikkaji J9.453F
PubChem 2468
PubChem: Thomson Pharma 15339438
SureChEMBL SCHEMBL27451

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