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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL483849
CHEMBL483849
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H15N4O8P

Additional synonyms for CHEMBL483849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N
Standard InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3( ...
Download InChI
Standard InChI Key NOTGFIUVDGNKRI-UUOKFMHZSA-N

Sources

  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL483849

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
338.2 338.0627 -2.99 5 213.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 12 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 3.71 -4.12 -8.37 1 22 0.3

Structural Alerts

There are 6 structural alerts for CHEMBL483849. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NOTGFIUVDGNKRI-UUOKFMHZSA-N
Wikipedia AICA_ribonucleotide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL483849



BindingDB 22579
Brenda 141511 8706 157111 147347 32811 101798 112626 7497 50533 15569 9463 57373 141019 20029
ChEBI 18406
DrugBank DB01700
eMolecules 6880888
FDA SRS F0X88YW0YK
Human Metabolome Database HMDB0001517
IBM Patent System 4FB408C47CFB29C5F06F465CDD9C4EB2
KEGG Ligand C04677
Metabolights MTBLC18406
Nikkaji J7.665A
PDBe AMZ
PubChem 65110
PubChem: Thomson Pharma 14976688
SureChEMBL SCHEMBL1230585
ZINC ZINC000004096500

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