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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

Structural Alerts

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

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

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
IBM Patents WO2003104391A2 WO2000015838A2 EP1392816A1 WO2002097063A1 EP0999284A1 US20060088900 WO2003012132A2 US20080248553 EP1262541A1 US6350784 EP1112382A2 US20040214261 WO2010127398A1 EP1414993A2 EP1281769A1
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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