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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL606478
CHEMBL606478
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H22N5O7PS

Additional synonyms for CHEMBL606478 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1nc(SCCc3ccccc3)n2C4O[C@H](COP(=O)(O)O)[C@@H](O)[C@ ...
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Standard InChI InChI=1S/C18H22N5O7PS/c19-15-12-16(21-9-20-15)23(18(22-12)32 ...
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Standard InChI Key YYLOKHWVXJZHRN-IKYDMHQPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL606478

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
483.4 483.0978 1.04 8 221.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 5 1 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 3.42 -.44 -4.69 3 32 0.22

Structural Alerts

There are 6 structural alerts for CHEMBL606478. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YYLOKHWVXJZHRN-IKYDMHQPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL606478



BindingDB 50367013
PubChem 46873842

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