Details of the Drug

General Information of Drug (ID: DMUME74)

• Drug Name: 3-hydroxy-4,7-dimethyl-6H-benzo[c]chromen-6-one
• Synonyms: CHEMBL204959; 3-hydroxy-4,7-dimethyl-6H-benzo[c]chromen-6-one; BDBM50180476

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); 240.25
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H12O3
  IUPAC Name: 3-hydroxy-4,7-dimethylbenzo[c]chromen-6-one
  Canonical SMILES: CC1=C2C(=CC=C1)C3=C(C(=C(C=C3)O)C)OC2=O
  InChI: InChI=1S/C15H12O3/c1-8-4-3-5-10-11-6-7-12(16)9(2)14(11)18-15(17)13(8)10/h3-7,16H,1-2H3
  InChIKey: BSCZPVUHFUQDQP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10399376
  TTD ID: D02XVV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_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
Estrogen receptor beta (ESR2)	DTT	ESR2	2.09E-01	-0.06	-0.17

References

• [1] 6H-Benzo[c]chromen-6-one derivatives as selective ERbeta agonists. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1468-72.