General Information of the Compound
Compound ID
CP0386855
Compound Name
2,4-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]acridin-9-one
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Structure
Formula
C23H29N3O
Molecular Weight
363.505
Canonical SMILES
CN1CCN(CCCn2c3ccccc3c(=O)c3cc(C)cc(C)c23)CC1
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InChI
InChI=1S/C23H29N3O/c1-17-15-18(2)22-20(16-17)23(27)19-7-4-5-8-21(19)26(22)10-6-9-25-13-11-24(3)12-14-25/h4-5,7-8,15-16H,6,9-14H2,1-3H3
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InChIKey
SGEIISAQAQTACA-UHFFFAOYSA-N
Physicochemical Property
logP
3.40904
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
28.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 137641138
ChEMBL ID
CHEMBL4073625
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 = 17.2 nM
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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 = 50210 nM
   TI
   LI
   LO
   TS
CL000349 NCI-ADR-RES Homo sapiens (Human)  1
1
IC50 = 53500 nM
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   LI
   LO
   TS