Details of the Drug

General Information of Drug (ID: DMZSJRC)

• Drug Name: 8-acetyl-7-methoxy-2H-chromen-2-one
• Synonyms: 8-Acetyl-7-methoxycoumarin; 8-acetyl-7-methoxy-2H-chromen-2-one; 89019-07-8; CHEMBL1288594; 8-Acetyl-7-methoxy-chromen-2-one; 2H-1-Benzopyran-2-one,8-acetyl-7-methoxy-; acetyl methoxycoumarin; ACMC-20lgfq; acetyl-7-methoxycoumarin, 8-; SCHEMBL16283617; CTK5G2445; DTXSID20556130; 8-acetyl-7-methoxy-2-oxochromene; 8-acetyl-7-methoxycoumarin ,98%; ZINC2562448; MFCD00270164; 8 - Acetyl - 7 - methoxycoumarin; BDBM50332024; 7-methoxy-8-coumarinul methyl ketone; AKOS016009510; RP27113; ST085908; AJ-40748; DB-078289; KB-200257; AX8111029

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); 218.2
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H10O4
  IUPAC Name: 8-acetyl-7-methoxychromen-2-one
  Canonical SMILES: CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC
  InChI: InChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3
  InChIKey: OTYBDEHZHXKGBO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14116752
  CAS Number: 89019-07-8
  TTD ID: D0F7KC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase IX (CA-IX)	DTT	CA9	6.08E-15	2.8	7.25

References

• [1] 7,8-disubstituted- but not 6,7-disubstituted coumarins selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and X... Bioorg Med Chem Lett. 2010 Dec 15;20(24):7255-8.