EcoDrugPlus


Synonyms	1-methyltryptophan, d- D-1-methyltryptophan D-1MT Indoximod NLG-8189
Status
Molecule Category	Free-form
UNII	TX5CYN1KMZ


InChI Key	ZADWXFSZEAPBJS-SNVBAGLBSA-N
Smiles	Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21
InChI	InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1

Property Name	Value
Molecular Formula	C12H14N2O2
Molecular Weight	218.26
AlogP	1.13
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	68.25
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	30.5

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	30.5

Resources	Reference
ChEMBL	CHEMBL571209
DrugBank	DB12827
FDA SRS	TX5CYN1KMZ
Guide to Pharmacology	8226
PubChem	405012
SureChEMBL	SCHEMBL934800
ZINC	ZINC000000039102

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

INDOXIMOD

Structure

Physicochemical Descriptors

Pharmacology

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