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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1206239
CHEMBL1206239
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N5O6P

Additional synonyms for CHEMBL1206239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3
Standard InChI InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16 ...
Download InChI
Standard InChI Key KHWCHTKSEGGWEX-RRKCRQDMSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1206239

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
331.2 331.0682 -0.83 4 165.84 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 11 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 3.82 -2.31 -6.58 2 22 0.52

Structural Alerts

There are 6 structural alerts for CHEMBL1206239. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KHWCHTKSEGGWEX-RRKCRQDMSA-N
PubChem SID: 8139940

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1206239



ACToR 25191-20-2 29576-96-3
Brenda 105885 145790 96008 7086 716 1745 135912 29317 4325 101842 12291
ChEBI 17713
eMolecules 713346
FDA SRS VFR8I97ORM
Guide to Pharmacology 5120
Human Metabolome Database HMDB0000905
IBM Patent System 2F59C025F7DEB1B863DFEE2CF9625558
KEGG Ligand C00360
Metabolights MTBLC17713
MolPort MolPort-004-955-249
Nikkaji J205.943F
PDBe DA D5M
PubChem 12599
PubChem: Thomson Pharma 14753201
SureChEMBL SCHEMBL48174
ZINC ZINC000001713574

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