Details of the Drug

General Information of Drug (ID: DMWRBSP)

• Drug Name: 2,2-dimethylbenzopyran derivative 1
• Synonyms: PMID26882240-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 444.5
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H28N2O5S
  IUPAC Name: N-cyclobutyl-N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
  Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=N2)CN(C3CCC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C
  InChI: InChI=1S/C23H28N2O5S/c1-23(2)13-12-19-20(30-23)10-8-16(24-19)15-25(17-6-5-7-17)31(26,27)18-9-11-21(28-3)22(14-18)29-4/h8-14,17H,5-7,15H2,1-4H3
  InChIKey: CQGIUFASDNXPRB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54575622
  TTD ID: D0LK6V

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.