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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106430
CHEMBL2106430
Compound Name GLICARAMIDE
ChEMBL Synonyms GLICARAMIDE
Max Phase 0
Trade Names
Molecular Formula C30H42N6O5S

Additional synonyms for CHEMBL2106430 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1nc(C)c2c(OCCC(C)C)c(cnc12)C(=O)NCCc3ccc(cc3)S(=O)(=O)NC( ...
Download SMILES
Standard InChI InChI=1S/C30H42N6O5S/c1-5-36-28-26(21(4)34-36)27(41-18-16-20 ...
Download InChI
Standard InChI Key DIBGLVNSPMMGHO-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106430

Molecule Features

CHEMBL2106430 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov GLICARAMIDE
The Cochrane Collaboration GLICARAMIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106430. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.233

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
598.8 598.2937 4.48 12 144.31 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.06 - 4.78 2.94 3 42 0.28

Structural Alerts

There are 1 structural alerts for CHEMBL2106430. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DIBGLVNSPMMGHO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106430



ACToR 36980-34-4
EPA CompTox Dashboard DTXSID60190471
FDA SRS UK5SR22C8Q
Nikkaji J19.873K
PubChem 65799
PubChem: Thomson Pharma 15384921
SureChEMBL SCHEMBL1816892
ZINC ZINC000004216401

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