ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200570
CHEMBL1200570
Compound Name MEGLUMINE
ChEMBL Synonyms MEGLUMINE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C7H17NO5

Additional synonyms for CHEMBL1200570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Standard InChI InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H ...
Download InChI
Standard InChI Key MBBZMMPHUWSWHV-BDVNFPICSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200570

Molecule Features

CHEMBL1200570 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

ClinicalTrials.gov MEGLUMINE
The Cochrane Collaboration MEGLUMINE

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 CHEMBL1200570. 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
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.998
CHEMBL222 Norepinephrine transporter Homo sapiens 0.992
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.957
CHEMBL1287610 Neuraminidase Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) 0.844
CHEMBL286 Renin Homo sapiens 0.616
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 0.306



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.996
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.992
CHEMBL222 Norepinephrine transporter Homo sapiens 0.980
CHEMBL5648 Purine nucleoside phosphorylase Plasmodium falciparum 0.978
CHEMBL1287610 Neuraminidase Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) 0.744
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.678
CHEMBL286 Renin Homo sapiens 0.558
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 0.454
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.219
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
195.2 195.1107 -3.36 6 113.18 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.47 9.17 -2.51 -4.38 0 13 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL1200570. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MBBZMMPHUWSWHV-BDVNFPICSA-N
PubChem SID: 144205883 SID: 144212354 SID: 170465359

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200570



ACToR 131133-75-0
Brenda 30242
ChEBI 59732
DrugCentral 5194
eMolecules 528920
EPA CompTox Dashboard DTXSID0023244
FDA SRS 6HG8UB2MUY
Human Metabolome Database HMDB0240291
IBM Patent System 0F93FAD2FF3FFD538F06F5DCCBC2D030
LINCS LSM-5424
Mcule MCULE-4436966604
MolPort MolPort-001-792-068
Nikkaji J8.375E
PubChem 8567
PubChem: Thomson Pharma 14940985 14748603
Selleck meglumine
SureChEMBL SCHEMBL2193
ZINC ZINC000002020259

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