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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL177210
CHEMBL177210
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H19N3O7

Additional synonyms for CHEMBL177210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNC(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O
Standard InChI InChI=1S/C11H19N3O7/c12-14-7(11(20)21)3-1-2-6(10(18)19)13-8( ...
Download InChI
Standard InChI Key KUSQOAPTZWBAQM-PKPIPKONSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL177210

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
305.3 305.1223 -1.49 11 179.05 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.35 9.42 -3.42 -7.92 0 21 0.2

Structural Alerts

There are 9 structural alerts for CHEMBL177210. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KUSQOAPTZWBAQM-PKPIPKONSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL177210



BindingDB 50068943
Nikkaji J1.363.922A
PubChem 10447793
PubChem: Thomson Pharma 15468929

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