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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
ChEBI 73083 15998
IBM Patent System 7F92F6403610D591646CDF5543C7521D 1A59942B8F0F9EA6B15AD2F5F84ABB98
KEGG Ligand C04807
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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