General Information of the Compound
Compound ID
CP0548543
Compound Name
2,4-dimethyl-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one
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Structure
Formula
C24H31N3O
Molecular Weight
377.532
Canonical SMILES
CN1CCN(CCCCn2c3ccccc3c(=O)c3cc(C)cc(C)c23)CC1
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InChI
InChI=1S/C24H31N3O/c1-18-16-19(2)23-21(17-18)24(28)20-8-4-5-9-22(20)27(23)11-7-6-10-26-14-12-25(3)13-15-26/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3
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InChIKey
BVCRMAXADCPENS-UHFFFAOYSA-N
Physicochemical Property
logP
3.79914
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
28.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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).

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PubChem ID
CID: 137660556
ChEMBL ID
CHEMBL4102080
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 = 10 nM
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   LI
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 14500 nM
   TI
   LI
   LO
   TS
CL000349 NCI-ADR-RES Homo sapiens (Human)  1
1
IC50 = 16200 nM
   TI
   LI
   LO
   TS