ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143360
CHEMBL143360
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H20Cl2N2

Additional synonyms for CHEMBL143360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1
Standard InChI InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15 ...
Download InChI
Standard InChI Key MGVRNMUKTZOQOW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143360

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
275.2 274.1004 3.69 6 6.48 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.52 3.1 1.87 1 17 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL143360. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGVRNMUKTZOQOW-UHFFFAOYSA-N
PubChem SID: 11113817 SID: 174007283 SID: 26751990
Wikipedia BD-1047

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143360



ACToR 138356-20-4
BindingDB 50000071
ChEBI 92648
EPA CompTox Dashboard DTXSID70160640
FDA SRS 1S3X75QGDO
Guide to Pharmacology 6680
IBM Patent System 2987934F968175495CC019CDEC62A4FB
LINCS LSM-2810
Nikkaji J442.769F
PubChem 188914
PubChem: Thomson Pharma 14872794
SureChEMBL SCHEMBL2830423
ZINC ZINC000022448826

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