ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15165
CHEMBL15165
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H18N6

Additional synonyms for CHEMBL15165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CCCc1nnn[nH]1)CCCn2ccnc2
Standard InChI InChI=1S/C11H18N6/c1(2-4-6-11-13-15-16-14-11)3-5-8-17-9-7-12 ...
Download InChI
Standard InChI Key WRPJDDNMILCNOO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15165

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
234.3 234.1593 1.59 8 72.28 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.08 7.08 1.29 -.67 2 17 0.7

Structural Alerts

There are 6 structural alerts for CHEMBL15165. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRPJDDNMILCNOO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15165



BindingDB 50028730
PubChem 44269990
ZINC ZINC000036242103

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