ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL412989
CHEMBL412989
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H26N2O16P2

Additional synonyms for CHEMBL412989 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H ...
Download SMILES
Standard InChI InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20) ...
Download InChI
Standard InChI Key YSYKRGRSMLTJNL-URARBOGNSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL412989. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL412989

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
564.3 564.0758 -3.71 9 290.92 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 8 3 18 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.1 - -4.15 -8.65 0 36 0.13

Compound Cross References

ChemSpider ChemSpider:YSYKRGRSMLTJNL-URARBOGNSA-N
Wikipedia Thymidine_diphosphate_glucose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL412989



ACToR 2196-62-5
ChEBI 15700
DSSTox DTXSID70332067
KEGG Ligand C00842
Nikkaji J631.152K
PDBe DAU
PubChem 443210
PubChem: Thomson Pharma 16066588
SureChEMBL SCHEMBL1521109

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