SEROTONIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 333DO1RDJY

Structure
InChI Key QZAYGJVTTNCVMB-UHFFFAOYSA-N
Smile NCCc1c[nH]c2ccc(O)cc12
InChI
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N2O
Molecular Weight 176.22
AlogP 1.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 62.04
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 26
Ion channel Ligand-gated ion channel 5HT3 receptor
980-90000 727 - 66-398 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
523 0 9690 2338 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
1-1800 0-3 4 1-10000 0-65
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 740-740 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC18 family of vesicular amine transporters
- 1430 - 2290-7690 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nausea 2 D009325 ClinicalTrials

Cross References

Resources Reference
ChEBI 28790
ChEMBL CHEMBL39
DrugBank DB08839
EPA CompTox DTXSID8075330
FDA SRS 333DO1RDJY
Human Metabolome Database HMDB0000259
Guide to Pharmacology 5
KEGG C00780
PDB SRO
PubChem 5202
SureChEMBL SCHEMBL1495
ZINC ZINC000000057058
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