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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5	Deorphanization of GPR109B as a receptor for the beta-oxidation intermediate 3-OH-octanoic acid and its role in the regulation of lipolysis. J Biol Chem. 2009 Aug 14;284(33):21928-33.
6	Analogues of acifran: agonists of the high and low affinity niacin receptors, GPR109a and GPR109b. J Med Chem. 2007 Apr 5;50(7):1445-8.
7	3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b. Bioorg Med Chem Lett. 2007 Dec 1;17(23):6619-22.
8	5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids are highly potent agonists of GPR109b. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4207-9.
9	1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. J Med Chem. 2006 Feb 23;49(4):1227-30.