Details of the Drug

General Information of Drug (ID: DMQVZ01)

• Drug Name: PMID26882240-Compound-14
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 419.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H21N3O3S
  IUPAC Name: 4-(1-methylindol-5-yl)sulfonyl-6-(6-methylpyridin-3-yl)-2,3-dihydro-1,4-benzoxazine
  Canonical SMILES: CC1=NC=C(C=C1)C2=CC3=C(C=C2)OCCN3S(=O)(=O)C4=CC5=C(C=C4)N(C=C5)C
  InChI: InChI=1S/C23H21N3O3S/c1-16-3-4-19(15-24-16)17-5-8-23-22(14-17)26(11-12-29-23)30(27,28)20-6-7-21-18(13-20)9-10-25(21)2/h3-10,13-15H,11-12H2,1-2H3
  InChIKey: FPMLAMSVUUIGOG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66563603
  TTD ID: D0OQ2S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hypoxia-inducible factor 1 (HIF-1)	TTUX68I	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.