Details of the Drug

General Information of Drug (ID: DMA9GH2)

Drug Name
ITE
Synonyms ITE (cancer); ITE (cancer), AhR Pharmaceuticals; Aryl hydrocarbon receptor (AhR) agonist (cancer), AhR Pharmaceuticals
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C14H10N2O3S
Canonical SMILES
COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32
InChI
1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
InChIKey
KDDXOGDIPZSCTM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4668801
ChEBI ID
CHEBI:93059
CAS Number
448906-42-1
TTD ID
D07IZS

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.