Details of the Drug

General Information of Drug (ID: DMTCPSQ)

• Drug Name: 2,2-dimethylbenzopyran derivative 3
• Synonyms: PMID26882240-Compound-12
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 352.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H20O5
  IUPAC Name: (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
  Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3)OC)O)C
  InChI: InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-19(25-3)17(23)12-13/h4-12,23-24H,1-3H3/b7-4+
  InChIKey: XCJXATSREUCGQN-QPJJXVBHSA-N
• Cross-matching ID:
  PubChem CID: 42636766
  TTD ID: D00WZJ

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.