General Information of Drug (ID: DM78P4X)

Drug Name
NOX-200
Synonyms
2-Amino-3-(1H-indol-3-yl)-2-methylpropanoic acid; alpha-Methyl-DL-tryptophan; 153-91-3; 2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid; NSC9948; 13510-08-2; alpha-Methyl-L-tryptophan; M-5098; Tryptophan, alpha-methyl-; 16709-25-4; DL-alpha-Methyltryptophan; alpha-methyl-D,L-tryptophan; NSC-9948; NSC 9948; Tryptophan,a-methyl-; ACMC-1BNRO; alpha-Methyltryptophan; AC1L3UBI; AC1Q5S1L; (S)-alpha-Methyl pryptophan; SCHEMBL343309; CHEMBL559578; GTPL4693; CTK4C8033; ZTTWHZHBPDYSQB-UHFFFAOYSA-N; MolPort-003-958-850; KS-000001AA; ANW-21478
Indication
Disease Entry ICD 11 Status REF
Rheumatoid arthritis FA20 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 218.25
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H14N2O2
IUPAC Name
2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid
Canonical SMILES
CC(CC1=CNC2=CC=CC=C21)(C(=O)O)N
InChI
InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)
InChIKey
ZTTWHZHBPDYSQB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
95438
CAS Number
153-91-3
TTD ID
D0OX9Q
VARIDT ID
DR01072

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Amino acid transporter ATB0+ (SLC6A14) TTB6H2S S6A14_HUMAN Inhibitor [2]
Solute carrier family 36 member 2 (SLC36A2) TT5U0XA S36A2_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010855)
2 Interaction of tryptophan derivatives with SLC6A14 (ATB0,+) reveals the potential of the transporter as a drug target for cancer chemotherapy. Biochem J. 2008 Sep 15;414(3):343-55.
3 Amino acid derivatives are substrates or non-transported inhibitors of the amino acid transporter PAT2 (slc36a2). Biochim Biophys Acta. 2011 Jan;1808(1):260-70.