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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

Structural Alerts

There are no structural alerts for CHEMBL210651

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

Compound Cross References

ChemSpider ChemSpider:RYMCFYKJDVMSIR-RNFRBKRXSA-N
Wikipedia Apricitabine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210651



ACToR 160707-69-7
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

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