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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1427
CHEMBL1427
Compound Name HYPOXANTHINE
ChEMBL Synonyms Hypoxanthine
Max Phase 0
Trade Names
Molecular Formula C5H4N4O

Additional synonyms for CHEMBL1427 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC=Nc2nc[nH]c12
Standard InChI InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9 ...
Download InChI
Standard InChI Key FDGQSTZJBFJUBT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1427

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
136.1 136.0385 -0.53 0 70.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.9 2.2 -1.11 -1.11 1 10 0.5

Structural Alerts

There are no structural alerts for CHEMBL1427

Compound Cross References

ChemSpider ChemSpider:FDGQSTZJBFJUBT-UHFFFAOYSA-N
PubChem SID: 144205064 SID: 170466739 SID: 26749634
Wikipedia Hypoxanthine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1427



ACToR 184856-40-4
Brenda 211
ChEBI 17368
DrugBank DB04076
eMolecules 538926 975947 5851666 711446 522216
EPA CompTox Dashboard DTXSID8045983
FDA SRS 2TN51YD919
Guide to Pharmacology 4555
Human Metabolome Database HMDB00157
IBM Patent System 15AFB0FDC28C4A5225B01C8C1D97D20E
KEGG Ligand C00262
Mcule MCULE-8326019285
Metabolights MTBLC17368
MolPort MolPort-001-783-695 MolPort-003-941-579 MolPort-000-799-859 MolPort-002-640-011 MolPort-000-510-424
Nikkaji J1.934H
NMRShiftDB 20096821 20181822 10016330
PDBe HPA
PubChem 790
PubChem: Thomson Pharma 16142119 15016626 16769078 14747719 99311624
Recon hxan
Selleck hypoxanthine
SureChEMBL SCHEMBL25381 SCHEMBL17276814
ZINC ZINC000018153302

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