TRYPTAMINE

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Synonyms
Molecule Category Free-form
UNII 422ZU9N5TV
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key APJYDQYYACXCRM-UHFFFAOYSA-N
Smiles NCCc1c[nH]c2ccccc12
InChI
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N2
Molecular Weight 160.22
AlogP 1.55
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 41.81
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 70 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 70 -

Cross References

Resources Reference
ChEMBL CHEMBL6640
FDA SRS 422ZU9N5TV
PDB TSS
PubChem 1150
SureChEMBL SCHEMBL26725
CONTENTS