TRYPTOPHAN

Search structure
Synonyms:
Status: Approved Withdrawn (1989)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06AX02
UNII: 8DUH1N11BX

Structure
InChI Key QIVBCDIJIAJPQS-VIFPVBQESA-N
Smile 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(%)
Enzyme Oxidoreductase
- 2250 - - -
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Breast Neoplasms, Male 1 D018567 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 73-22-3
ChEBI 16828
ChEMBL CHEMBL54976
DrugBank DB00150
DrugCentral 2780
EPA CompTox DTXSID5021419
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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