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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1160282
CHEMBL1160282
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13N4O7P

Additional synonyms for CHEMBL1160282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1O)c2n[nH]c3cncnc23
Standard InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7 ...
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Standard InChI Key NDEAHYLKDSBDCS-KBHCAIDQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1160282

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
332.2 332.0522 -1.38 4 170.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 11 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 2.54 -3.66 -8.15 2 22 0.42

Structural Alerts

There are 5 structural alerts for CHEMBL1160282. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NDEAHYLKDSBDCS-KBHCAIDQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1160282



BindingDB 50004698
Brenda 69272
Nikkaji J1.151.315H J1.151.313A
PubChem 44302494
SureChEMBL SCHEMBL14190569
ZINC ZINC000029570920

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