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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1229984
CHEMBL1229984
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H11N5O8P2

Additional synonyms for CHEMBL1229984 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC2=C(N=C(COP(=O)(O)OP(=O)(O)O)CN2)C(=O)N1
Standard InChI InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-2 ...
Download InChI
Standard InChI Key FCQGJGLSOWZZON-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1229984

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
355.1 355.0083 -2.48 5 224.77 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 13 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.25 13.04 -2.92 -6.94 0 22 0.28

Structural Alerts

There are 9 structural alerts for CHEMBL1229984. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FCQGJGLSOWZZON-UHFFFAOYSA-N
PubChem SID: 489446
Wikipedia 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1229984



ACToR 3658-94-4 3545-84-4
Brenda 4667 43071 51446 6239 10473 39426 148951
ChEBI 73083 15998
IBM Patent System 7F92F6403610D591646CDF5543C7521D 1A59942B8F0F9EA6B15AD2F5F84ABB98
KEGG Ligand C04807
Metabolights MTBLC73083 MTBLC15998
Nikkaji J843.576F
PDBe 2PH
PubChem 666
SureChEMBL SCHEMBL381156

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