Details of the Drug

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
CHEMBL292303
CAS Number
153-94-6
UNII
7NS97N9H1G
DrugBank ID
DB03225
TTD ID
D08CBB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.