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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106052
CHEMBL2106052
Compound Name CIMEMOXIN
ChEMBL Synonyms CYMEMOXINE | SD 286-03 | CIMEMOXIN
Max Phase 0
Trade Names
Molecular Formula C7H16N2

Additional synonyms for CHEMBL2106052 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNCC1CCCCC1
Standard InChI InChI=1S/C7H16N2/c8-9-6-7-4-2-1-3-5-7/h7,9H,1-6,8H2
Standard InChI Key BDHMBGHSWFWYSP-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106052

Molecule Features

CHEMBL2106052 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

ClinicalTrials.gov CIMEMOXIN
The Cochrane Collaboration CIMEMOXIN

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
128.2 128.1313 1.03 2 38.05 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.64 1.16 -.17 0 9 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL2106052. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BDHMBGHSWFWYSP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106052



ACToR 3788-16-7
eMolecules 10231664
EPA CompTox Dashboard DTXSID30191314
FDA SRS 584QS921R2
IBM Patent System 05AB6720197C06DCFB92AB0B77DA61BB
Nikkaji J2.361.834F
PubChem 71824
PubChem: Thomson Pharma 15437176
SureChEMBL SCHEMBL2108333
ZINC ZINC000019172733

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