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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278009
CHEMBL278009
Compound Name PTERINE
ChEMBL Synonyms 4-Oxopterin | 2-Amino-4-pteridone | Pteridoxamine
Max Phase 0
Trade Names
Molecular Formula C6H5N5O

Additional synonyms for CHEMBL278009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=Nc2nccnc2C(=O)N1
Standard InChI InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7 ...
Download InChI
Standard InChI Key HNXQXTQTPAJEJL-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL278009

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
163.1 163.0494 -0.72 0 93.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.29 2 -1.22 -1.58 1 12 0.53

Structural Alerts

There are no structural alerts for CHEMBL278009

Compound Cross References

ChemSpider ChemSpider:HNXQXTQTPAJEJL-UHFFFAOYSA-N
Wikipedia Pterin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278009



ACToR 2236-60-4
BindingDB 50125772
ChEBI 18265 37105 44992
eMolecules 531188 2581530
EPA CompTox Dashboard DTXSID40176894
FDA SRS 85MA24E1NH
Human Metabolome Database HMDB00802
IBM Patent System 1064EE1C59FEAFC9DDEA22A46C124E66
KEGG Ligand C00715
Mcule MCULE-7456747930
MolPort MolPort-000-827-421 MolPort-001-684-161
Nikkaji J38.136E
NMRShiftDB 20025944
PDBe PE0
PubChem 73000
PubChem: Thomson Pharma 15120333 96065023
SureChEMBL SCHEMBL64320
ZINC ZINC17819771

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