TRYPTOPHAN

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Synonyms
Status
Molecule Category Free-form
ATC N06AX02
UNII 8DUH1N11BX
EPA CompTox DTXSID5021419

Structure

InChI Key QIVBCDIJIAJPQS-VIFPVBQESA-N
Smiles N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O2
Molecular Weight 204.23
AlogP 1.12
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 79.11
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 15.0

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) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- - - - 1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC03 and SLC07 families of heteromeric amino acid transporters (HATs) SLC07 Cationic amino acid transporter/glycoprotein-associated family
- - - - 79-79
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.19-97.09
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.19-97.09
Homo sapiens
- - - - 1-79

Related Entries

Cross References

Resources Reference
ChEBI 16828
ChEMBL CHEMBL54976
DrugBank DB00150
DrugCentral 2780
FDA SRS 8DUH1N11BX
Human Metabolome Database HMDB0000929
Guide to Pharmacology 717
KEGG C00078
PDB TRP
PharmGKB PA10323
PubChem 6305
SureChEMBL SCHEMBL7328
ZINC ZINC000000083315
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