Details of the Drug

General Information of Drug (ID: DMQJ3T5)

Drug Name
KF-A6
Synonyms KF-A6; CHEMBL491889; SCHEMBL13438391; BDBM50249783
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 350.5
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H30N2O
IUPAC Name
10-[6-(diethylamino)hexyl]acridin-9-one
Canonical SMILES
CCN(CC)CCCCCCN1C2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI
InChI=1S/C23H30N2O/c1-3-24(4-2)17-11-5-6-12-18-25-21-15-9-7-13-19(21)23(26)20-14-8-10-16-22(20)25/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3
InChIKey
YHXSELHUXJAOLR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44566054
ChEBI ID
CHEMBL491889
TTD ID
D08RCH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Inhibitor [1]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [1]
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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
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
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References

1 Design, synthesis, and evaluation of 10-N-substituted acridones as novel chemosensitizers in Plasmodium falciparum. Antimicrob Agents Chemother. 2007 Nov;51(11):4133-40.