Details of the Drug

General Information of Drug (ID: DMUONK5)

• Drug Name: amg-1
• Synonyms: CHEMBL3342402; N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide; BAS 06591295; AC1LLIU7; GTPL8227; SCHEMBL20313457; MolPort-000-220-791; ZINC801901; STL305655; BDBM50030791; AKOS000657540; MCULE-5294683561; ST50049773; Z56882059; N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamide; 496023-55-3; N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[5-(4-methylphenyl)(1,3-thiazolino[3,2- d]1,2,4-triazol-3-ylthio)]acetamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 424.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C20H16N4O3S2
  IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
  Canonical SMILES: CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC5=C(C=C4)OCO5
  InChI: InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)
  InChIKey: XYXNYQAJSYUYNZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1085108
  TTD ID: D01HST

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

References

• [1] Purification and kinetic characterization of human indoleamine 2,3-dioxygenases 1 and 2 (IDO1 and IDO2) and discovery of selective IDO1 inhibitors. Biochim Biophys Acta. 2011 Dec;1814(12):1947-54.