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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL477507
CHEMBL477507
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N4O7

Additional synonyms for CHEMBL477507 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)NC2=C1NC(=O)NC2=O
Standard InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)2 ...
Download InChI
Standard InChI Key XIBHHWBJHOTHGZ-RPDRRWSUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL477507

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
302.2 302.0862 -4.22 5 184.43 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 7 1 11 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.27 - -2.43 -4.19 2 21 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL477507. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XIBHHWBJHOTHGZ-RPDRRWSUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL477507



BindingDB 50427446
Brenda 74896 26119 11876 42098
Nikkaji J1.711.953B
PubChem 10402630
PubChem: Thomson Pharma 15419595
ZINC ZINC000038781194

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