Details of the Drug

General Information of Drug (ID: DMYBV8Q)

• Drug Name: PMID21277783C7
• Synonyms: citibrasine; Citibrasine; Citbrasine; GTPL8561; BDBM50336482

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); 331.32
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H17NO6
  IUPAC Name: 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
  Canonical SMILES: CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
  InChI: InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
  InChIKey: QYPQTPVQPNLXHV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 19093029
  CAS Number: 86680-34-4
  TTD ID: D04URI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin V (CTSV)	TTSD9T1	CATL2_HUMAN	Inhibitor	[1]

References

• [1] Acridone alkaloids as potent inhibitors of cathepsin V. Bioorg Med Chem. 2011 Feb 15;19(4):1477-81.