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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL107528
CHEMBL107528
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H20N4O2

Additional synonyms for CHEMBL107528 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNC(=N)NCCC[C@H](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-ZETCQYMHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL107528

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 9 111.23 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.5 14.06 .94 -2.53 0 15 0.16

Structural Alerts

There are 7 structural alerts for CHEMBL107528. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AOMXURITGZJPKB-ZETCQYMHSA-N
PubChem SID: 11113951
Wikipedia N-Propyl-L-arginine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL107528



BindingDB 50240716
Brenda 38708
eMolecules 8293895
EPA CompTox Dashboard DTXSID30332245
Guide to Pharmacology 6525
IBM Patent System B4623AE14C3D0375F2ECEF5234250214
Nikkaji J898.893E
PubChem 447180
PubChem: Thomson Pharma 14822566
SureChEMBL SCHEMBL1004634
ZINC ZINC000001546170

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