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
- - - - 25.6
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- 2990 - - -
Enzyme Lyase
- 301000-301300 - - -
Enzyme Oxidoreductase
- 550000 - - -
Enzyme Transferase
- - - - 4.97
Ion channel Ligand-gated ion channel 5HT3 receptor
980-210000 727 - 66-398.11 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
523 0.0003 9690 2338 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
0.23-1672 0.25-2.55 3.98 0.62-10000 0-65
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Trace amine receptor
35100 - - - -
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 - 2290-640000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 97000 - 242000 -

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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