General Information of Drug (ID: DMKIML1)

Drug Name
D-tryptophan
Synonyms
D-Tryptophan; 153-94-6; H-D-Trp-OH; D(+)-Tryptophan; (R)-Tryptophan; D-TRYPTOPHANE; (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid; D-Trytophane; H-D-Typ-OH; Tryptophan, D-; D-Trp; UNII-7NS97N9H1G; D-(+)-Tryptophan; (R)-2-Amino-3-(3-indolyl)propionic acid; EINECS 205-819-9; NSC 97942; (R)-(+)-2-Amino-3-(3-indolyl)propionic Acid; 7NS97N9H1G; CHEMBL292303; DTR; CHEBI:16296; QIVBCDIJIAJPQS-SECBINFHSA-N; MFCD00005647; D-alpha-Amino-3-indolepropionic acid; NCGC00093372-02; DSSTox_RID_82038; DSSTox_CID_26989; D(+)-Tryptophan,
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 204.22
Logarithm of the Partition Coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H12N2O2
IUPAC Name
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N
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-/m1/s1
InChIKey
QIVBCDIJIAJPQS-SECBINFHSA-N
Cross-matching ID
PubChem CID
9060
ChEBI ID
CHEBI:16296
CAS Number
153-94-6
DrugBank ID
DB03225
TTD ID
D08CBB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hydroxycarboxylic acid receptor 3 (HCAR3) TT8WFXV HCAR3_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5798).
2 Aromatic D-amino acids act as chemoattractant factors for human leukocytes through a G protein-coupled receptor, GPR109B. Proc Natl Acad Sci U S A. 2009 Mar 10;106(10):3930-4.