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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL178674
CHEMBL178674
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H34N8O6

Additional synonyms for CHEMBL178674 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(N1C=CN=C(NCc2nonc2C)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)CNCN3 ...
Download SMILES
Standard InChI InChI=1S/C24H34N8O6/c1-3-19(31-9-8-26-22(24(31)37)27-11-18-1 ...
Download InChI
Standard InChI Key YDWMZYBWKLFQKO-RFSHTEQGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL178674

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
530.6 530.2601 -4.65 14 182.36 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 4 2 14 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.08 9.95 1.2 -1.31 1 38 0.18

Structural Alerts

There are 5 structural alerts for CHEMBL178674. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDWMZYBWKLFQKO-RFSHTEQGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL178674



BindingDB 50160985
PubChem 44389331

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