Details of the Drug

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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.