ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1230264
CHEMBL1230264
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H10N2O2

Additional synonyms for CHEMBL1230264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=N[C@@H](CCN1)C(=O)O
Standard InChI InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H, ...
Download InChI
Standard InChI Key WQXNXVUDBPYKBA-YFKPBYRVSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1230264

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
142.2 142.0742 -0.15 1 61.69 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.92 13.62 .8 -1.7 0 10 0.53

Structural Alerts

There are no structural alerts for CHEMBL1230264

Compound Cross References

ChemSpider ChemSpider:WQXNXVUDBPYKBA-YFKPBYRVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1230264



Brenda 190459 23587
ChEBI 58515 27592
ChemicalBook CB4359836
eMolecules 509092
FDA SRS 7GXZ3858RY
IBM Patent System 75BB782716B539578175D002FB268719
KEGG Ligand C06231
MolPort MolPort-046-069-289 MolPort-003-933-150
Nikkaji J659.626F
PDBe 4CS
PubChem 126041 6993223
PubChem: Thomson Pharma 15194609 15146728 14916099
Rhea 58515
SureChEMBL SCHEMBL93532
ZINC ZINC000001612568

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