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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL210651
CHEMBL210651
Compound Name APRICITABINE
ChEMBL Synonyms Apricitabine
Max Phase 0
Trade Names
Molecular Formula C8H11N3O3S

Additional synonyms for CHEMBL210651 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)N(C=C1)[C@H]2CO[C@@H](CO)S2
Standard InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6 ...
Download InChI
Standard InChI Key RYMCFYKJDVMSIR-RNFRBKRXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL210651

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
229.3 229.0521 -0.59 2 113.45 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.83 4.19 -.21 -.21 0 15 0.65

Structural Alerts

There are no structural alerts for CHEMBL210651

Compound Cross References

ChemSpider ChemSpider:RYMCFYKJDVMSIR-RNFRBKRXSA-N
Wikipedia Apricitabine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210651



ACToR 160707-69-7
Brenda 135061
DrugBank DB12855
EPA CompTox Dashboard DTXSID60166974
FDA SRS K1YX059ML1
IBM Patent System B4E97EE9B32F0E8D6D876AEB354ED9CD
MolPort MolPort-028-720-520
Nikkaji J1.147.915D J645.730D
PubChem 455041
PubChem: Drugs of the Future 24714758
PubChem: Thomson Pharma 14749302
SureChEMBL SCHEMBL1101075
ZINC ZINC000003779991

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