General Information of the Compound
Compound ID
CP0227934
Compound Name
2-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]isoindole-1,3-dione
    Show/Hide
Synonyms
CHEMBL574107
N-{4-[2-(3-Hydroxyphenyl)ethyl]phenyl}phthalimide
    Show/Hide
Structure
Formula
C22H17NO3
Molecular Weight
343.382
Canonical SMILES
Oc1cccc(CCc2ccc(cc2)N2C(=O)c3ccccc3C2=O)c1
    Show/Hide
InChI
InChI=1S/C22H17NO3/c24-18-5-3-4-16(14-18)9-8-15-10-12-17(13-11-15)23-21(25)19-6-1-2-7-20(19)22(23)26/h1-7,10-14,24H,8-9H2
    Show/Hide
InChIKey
TUMZBTITCWKZAT-UHFFFAOYSA-N
Physicochemical Property
logP
3.978
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
57.61
Hydrogen Bond Donor Count
1
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: 45481863
ChEMBL ID
CHEMBL574107
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: PT01555, Oxysterols receptor LXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7500 nM
   TI
   LI
   LO
   TS
Protein ID: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-{4-[2-(3-Hydroxyphenyl)ethyl]phenyl}phthalimide )
Drug Name N-{4-[2-(3-Hydroxyphenyl)ethyl]phenyl}phthalimide
Target(s)
Oxysterols receptor LXR-alpha (NR1H3)
Inhibitor