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
Structure
3D MOL is unavailable 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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