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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39
CHEMBL39
Compound Name SEROTONIN
ChEMBL Synonyms [3H]5-HT | 5-HT | Serotonin HCl | 5-Hydroxytryptamine
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

Structural Alerts

There are no structural alerts for CHEMBL39

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

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



BindinDB 10755
ChEBI 28790
eMolecules 969219
FDA SRS 333DO1RDJY
Guide to Pharmacology 5
Human Metabolome Database HMDB00259
IBM Patent System 4F311612325F284F651B50962C80388A
IBM Patents WO2007146136A2 US20070106752 US20020142392 WO2004072260A2 US5185350 US7731940 US20040076607 EP0532566A1 US20080138428 WO1990015047A1 US20070207181 US6609030 US5958934 US7494815 US20100144869 WO2001076592A1 EP1575565B1 WO2004009600A1 WO2009069002A2 WO2006020365A2 US20070042435 WO2008130320A2 WO2005063712A1 US6835398 EP1018512B1 EP1045918B1 WO2006000902A1 WO2009086634A1 EP1689725A1 US4254103 EP1362589B1 EP1263760A1 WO2006136945A1 EP2139333A1 EP0848713B1 WO2010140157A1 WO2006079922A2 US20090192194 EP1537119A1 EP1228043B1 US5395612 EP0419049B1 WO1998054187A1 WO1995032981A1 WO2004019046A1 US6664229 EP1528919A2 WO2004014850A2 US20090156786 EP0942731A1 US4275149 WO2010123838A2 EP0624100A1 WO2000044753A1 EP0697019A1 EP2155729A1 US6458802 US20050220765 WO2002081732A1 EP0996621B1 WO2005107729A1 WO2001025236A2 US6911526 US20060265769 WO1994027583A2 US20090226405 WO1997046675A1 US7816380 US20080194800 US20020025972 US20090192081 EP1948817A1 US20100063034 US7598231 US20080045502 US20080241141 EP0407392B2 US20030199563 US20080287451 US6287254 EP1212000B1 US20100160333 US20090264653 WO1999001427A2 EP1076647A2 EP1042299A1 US20100210519 EP0434561A2 WO2006064504A2 US20020123490 US20080214613 US20040209808 EP1380306A1 EP1098896A1 WO2003057151A2 EP0390910A1 US20070009883 EP1537103A1 US20070123505 US20090104206
KEGG Ligand C00780
LINCS LSM-6589
Mcule MCULE-8788459983
MolPort MolPort-001-779-633
Nikkaji J4.107F
PDBe SRO
PubChem 5202
PubChem: Thomson Pharma 15120541
SureChEMBL SCHEMBL1495

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