General Information of the Compound
Compound ID
CP0555687
Compound Name
10-[3-(diethylamino)propyl]-2,4-dimethylacridin-9-one
    Show/Hide
Structure
Formula
C22H28N2O
Molecular Weight
336.479
Canonical SMILES
CCN(CC)CCCn1c2ccccc2c(=O)c2cc(C)cc(C)c12
    Show/Hide
InChI
InChI=1S/C22H28N2O/c1-5-23(6-2)12-9-13-24-20-11-8-7-10-18(20)22(25)19-15-16(3)14-17(4)21(19)24/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3
    Show/Hide
InChIKey
DJTKQWPRLIGMKH-UHFFFAOYSA-N
Physicochemical Property
logP
4.50344
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137650562
ChEMBL ID
CHEMBL4078738
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000349 NCI-ADR-RES Homo sapiens (Human)  1
1
IC50 = 14.2 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000349 NCI-ADR-RES Homo sapiens (Human)  1
1
IC50 = 34200 nM
   TI
   LI
   LO
   TS