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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL256105
CHEMBL256105
Compound Name MONENSIN
ChEMBL Synonyms E714 | 67314 | Monensin | Monensin Sodium | Coban [as sodium salt] | Rumensin [as sodium salt]
Max Phase 0
Trade Names
Molecular Formula C36H62O11

Additional synonyms for CHEMBL256105 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@]1(CC[C@@H](O1)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-2 ...
Download InChI
Standard InChI Key GAOZTHIDHYLHMS-KEOBGNEYSA-N

Molecule Features

CHEMBL256105 compound icon
Drug Type:Natural Product Rule of Five:N First In Class:N Chirality:Single Stereoisomer 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 5 structural alerts for CHEMBL256105. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL256105

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
670.9 670.4292 3.48 10 153.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 4 2 11 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.26 - 4.01 .96 0 47 0.27

Compound Cross References

ChemSpider ChemSpider:GAOZTHIDHYLHMS-KEOBGNEYSA-N
Wikipedia Monensin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL256105



ACToR 17090-79-8
Atlas monensin
ChEBI 27617
IBM Patent System 50BDECAA9ED62C988857EA502B9C11CC
IBM Patents US7803808 US6720330 US4665058 US20100074935 EP1696025A2 US20090162374 WO2008044127A1 EP1033405A2 WO2007035474A2 WO2003078641A1 US5547932 EP1183369A1 US6929935 US20080025997 WO1996018736A2 US6433171 US20020119550 US20050287220 US20020052526 US20020051982 US6168919 EP2069477A2 US4333923 EP2242495A2 US7442852 US5707964 US20060018933 WO2002085132A1 US20080226760 US6608179 US20030007947 WO2004058238A1 US5185434 EP1551449B1 US20020016298 US4076834 US20100029574 EP1929297A2 EP1210950B1 US6620833 US5994088 WO2002068615A2 EP1934375A1 WO2009045443A2 WO2005120246A1 US20050191322 US20050196431 US20020019415 US5180665 US20080227775 WO2000077262A1 US20070190533 WO2002045751A1 US7601710 US20060040980 WO2009041832A9 EP1632573A2 US20030096220 US5217993 US6562346 WO2000014262A2 EP2245943A1 WO2009151496A2 US4533457 US20050003462 US5776981 WO2000071728A1 US6750040 US5244681 US5616559 US6608189 US6447765 US20080139520 US4625041 WO2005020345A2 EP1755660A2 US20050271589 US6586000 US20040214764 US7374778 WO2007062656A2 WO2001005831A1 US7307103 US20010031261 US20050169914 US20040191270 EP2019857A2 WO2001090333A2 US4251506 WO1994024886A1 US20050009125 WO2005090385A2 US5995869 US5314700 US20030212028 US5078854 WO2010057501A1 WO2002000252A2 US5911862 US20100209357
KEGG Ligand C06693
LINCS LSM-5659
Nikkaji J39.488B
PubChem 441145
PubChem: Thomson Pharma 14839569 14912872
SureChEMBL SCHEMBL55367

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