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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL33103
CHEMBL33103
Compound Name ACETYLSEROTONIN
ChEMBL Synonyms N-Acetylserotonin
Max Phase 0
Trade Names
Molecular Formula C12H14N2O2

Additional synonyms for CHEMBL33103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Standard InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11( ...
Download InChI
Standard InChI Key MVAWJSIDNICKHF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL33103

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
218.3 218.1055 1.33 3 65.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.09 - .27 .27 2 16 0.73

Structural Alerts

There are no structural alerts for CHEMBL33103

Compound Cross References

ChemSpider ChemSpider:MVAWJSIDNICKHF-UHFFFAOYSA-N
PubChem SID: 11110718 SID: 124879115 SID: 26747425 SID: 26753507 SID: 46500457 SID: 50105763 SID: 85230897 SID: 90341149
Wikipedia N-Acetylserotonin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL33103



BindingDB 29612
Brenda 13349 18000 38839 1450
ChEBI 17697
DrugBank DB04275
eMolecules 531522
EPA CompTox Dashboard DTXSID00153106
FDA SRS P4TO3C82WV
Guide to Pharmacology 5451
Human Metabolome Database HMDB0001238
IBM Patent System 8CAC0C95775A75CE30013EC54750DC1E
KEGG Ligand C00978
LINCS LSM-20977
Mcule MCULE-4114943625
Metabolights MTBLC17697
MolPort MolPort-001-736-385
Nikkaji J125.886I
PDBe ASE
PharmGKB PA140222717
PubChem 903
PubChem: Thomson Pharma 14822613
Recon Nacsertn
Rhea 17697
SureChEMBL SCHEMBL422165
ZINC ZINC000000066104

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