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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL418052
CHEMBL418052
Compound Name S-ADENOSYLHOMOCYSTEINE
ChEMBL Synonyms S-Adenosyl-Homocysteine | S-Adenosyl Homocysteine | S-Adenosylhomocysteine
Max Phase 0
Trade Names
Molecular Formula C14H20N6O5S

Additional synonyms for CHEMBL418052 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C ...
Download SMILES
Standard InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13 ...
Download InChI
Standard InChI Key ZJUKTBDSGOFHSH-WFMPWKQPSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL418052

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
384.4 384.1216 -4.36 7 207.93 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 5 1 11 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.22 9.47 -.54 -3.04 2 26 0.29

Structural Alerts

There are 4 structural alerts for CHEMBL418052. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZJUKTBDSGOFHSH-WFMPWKQPSA-N
Wikipedia S-Adenosyl-L-homocysteine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL418052



ACToR 75899-14-8
BindingDB 50009672
Brenda 5733 36 96154 45892 94955 107214 102272 843 107648 92307
ChEBI 16680 57856
DrugBank DB01752
eMolecules 474983
FDA SRS 8K31Q2S66S
Guide to Pharmacology 5265
Human Metabolome Database HMDB0000939
IBM Patent System B954A6E24A0253066EBF6AFFDA34DBE4
KEGG Ligand C00021
Metabolights MTBLC16680 MTBLC57856
MolPort MolPort-003-925-198
Nikkaji J14.397I
PDBe SAH
PubChem 439155 25246222
PubChem: Thomson Pharma 16691590
Recon ahcys
Rhea 57856
SureChEMBL SCHEMBL8836
ZINC ZINC000004228232

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