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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39
CHEMBL39
Compound Name SEROTONIN
ChEMBL Synonyms 5-HYDROXYTRYPTAMINE | Serotonin Hydrochloride | 5-HT
Max Phase 0
Trade Names
Molecular Formula C10H12N2O

Additional synonyms for CHEMBL39 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1c[nH]c2ccc(O)cc12
Standard InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2, ...
Download InChI
Standard InChI Key QZAYGJVTTNCVMB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL39

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
176.2 176.095 1.31 2 62.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.09 9.52 .55 -1.74 2 13 0.65

Structural Alerts

There are no structural alerts for CHEMBL39

Compound Cross References

ChemSpider ChemSpider:QZAYGJVTTNCVMB-UHFFFAOYSA-N
PubChem SID: 11111288 SID: 11111289 SID: 124880365 SID: 26754231 SID: 26754232 SID: 26754233 SID: 26755328 SID: 50109811 SID: 50109812 SID: 90341122
Wikipedia Serotonin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39



BindingDB 10755
Brenda 1669 437 11272 11850 51429
ChEBI 28790
eMolecules 969219
EPA CompTox Dashboard DTXSID8075330
FDA SRS 333DO1RDJY
Guide to Pharmacology 5
Human Metabolome Database HMDB0000259
IBM Patent System 4F311612325F284F651B50962C80388A
KEGG Ligand C00780
LINCS LSM-6589
Mcule MCULE-8788459983
Metabolights MTBLC28790
MolPort MolPort-001-779-633
Nikkaji J4.107F
PDBe SRO
PubChem 5202
PubChem: Thomson Pharma 15120541
SureChEMBL SCHEMBL1495
ZINC ZINC000000057058

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