General Information of the Compound
Compound ID
CP0519542
Compound Name
10-[4-(diethylamino)butyl]-2,4-dimethylacridin-9-one
    Show/Hide
Structure
Formula
C23H30N2O
Molecular Weight
350.506
Canonical SMILES
CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(C)cc(C)c12
    Show/Hide
InChI
InChI=1S/C23H30N2O/c1-5-24(6-2)13-9-10-14-25-21-12-8-7-11-19(21)23(26)20-16-17(3)15-18(4)22(20)25/h7-8,11-12,15-16H,5-6,9-10,13-14H2,1-4H3
    Show/Hide
InChIKey
AOMLWIQEGAAUKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.89354
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 137652146
ChEMBL ID
CHEMBL4077817
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 = 4.05 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 8300 nM
   TI
   LI
   LO
   TS