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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL126713
CHEMBL126713
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H20N4O2

Additional synonyms for CHEMBL126713 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC\N=C(\N)/NCCCC(N)C(=O)O
Standard InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H, ...
Download InChI
Standard InChI Key AOMXURITGZJPKB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL126713

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
216.3 216.1586 -2.75 8 113.73 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.51 13.94 .39 -3.1 0 15 0.2

Structural Alerts

There are 5 structural alerts for CHEMBL126713. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AOMXURITGZJPKB-UHFFFAOYSA-N
Wikipedia N-Propyl-L-arginine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL126713



BindingDB 50061231
PubChem 44350240 4387
PubChem: Thomson Pharma 104227259

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