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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL223533
CHEMBL223533
Compound Name CYSTETINE TRIPHOSPHATE
ChEMBL Synonyms Cystetine Triphosphate
Max Phase 0
Trade Names
Molecular Formula C9H16N3O14P3

Additional synonyms for CHEMBL223533 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O ...
Download SMILES
Standard InChI InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(2 ...
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Standard InChI Key PCDQPRRSZKQHHS-XVFCMESISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL223533

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
483.2 482.9845 -2.21 8 270.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 7 2 17 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 4.26 -5.6 -11.6 1 29 0.19

Structural Alerts

There are 9 structural alerts for CHEMBL223533. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PCDQPRRSZKQHHS-XVFCMESISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL223533



Brenda 118756 60 127865 91797
ChEBI 17677
DrugBank DB02431
eMolecules 30152009
EPA CompTox Dashboard DTXSID70889324
FDA SRS K0118UX80T
Guide to Pharmacology 1741
Human Metabolome Database HMDB0000082
IBM Patent System C82278DCD5BB9C99C1AC819F5B9CEC4A BE5158EA59DBF8AAD9E201517D5F7C85 27C35EF2F1E09952A356D010307B6608
KEGG Ligand C00063
Metabolights MTBLC17677
Nikkaji J213.552C
PDBe CTP
PubChem 6176
PubChem: Thomson Pharma 14859169 135655796
SureChEMBL SCHEMBL104629
ZINC ZINC000003861746

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