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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1812061
CHEMBL1812061
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N5O11P

Additional synonyms for CHEMBL1812061 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c(NC(CC(=O) ...
Download SMILES
Standard InChI InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3- ...
Download InChI
Standard InChI Key OFBHPPMPBOJXRT-DPXQIYNJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1812061

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
463.3 463.074 -2.11 9 246.68 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 7 2 16 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 2.43 -3.34 -9.84 2 31 0.2

Structural Alerts

There are 6 structural alerts for CHEMBL1812061. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OFBHPPMPBOJXRT-DPXQIYNJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1812061



ChEBI 15919
Human Metabolome Database HMDB0000536
Metabolights MTBLC15919
Nikkaji J974.157G
PubChem 440122
PubChem: Thomson Pharma 15008983

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