Details of the Drug

General Information of Drug (ID: DMVUWLK)

• Drug Name: Indazole derivative 3
• Synonyms: PMID29473428-Compound-8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 347.8
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H18ClN5O2
  IUPAC Name: 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
  Canonical SMILES: CC1(CN(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=C3C=NN4)Cl)C
  InChI: InChI=1S/C16H18ClN5O2/c1-15(2)8-22(4-3-16(15)13(23)19-14(24)20-16)12-6-9(17)5-11-10(12)7-18-21-11/h5-7H,3-4,8H2,1-2H3,(H,18,21)(H2,19,20,23,24)
  InChIKey: JZDRNRKIZBGYLY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121326772
  TTD ID: D0JB1V

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	Not Available	[1]
Tryptophan 2,3-dioxygenase (TDO)	TTXNCBV	T23O_HUMAN	Not Available	[1]

References

• [1] A patent review of IDO1 inhibitors for cancer.Expert Opin Ther Pat. 2018 Apr;28(4):317-330.