General Information of the Compound
Compound ID
CP0514372
Compound Name
5-[2-(4-hydroxyphenyl)phenyl]benzene-1,3-diol
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Synonyms
BDBM50186757
CHEMBL208098
ZINC35856323
[1,1':2',1'']-terphenyl-4,3'',5''-triol
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Structure
Formula
C18H14O3
Molecular Weight
278.307
Canonical SMILES
Oc1ccc(cc1)-c1ccccc1-c1cc(O)cc(O)c1
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InChI
InChI=1S/C18H14O3/c19-14-7-5-12(6-8-14)17-3-1-2-4-18(17)13-9-15(20)11-16(21)10-13/h1-11,19-21H
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InChIKey
UGGGRFWZAHTXBI-UHFFFAOYSA-N
Physicochemical Property
logP
4.1374
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
60.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 11579996
SID: 16682382
ChEMBL ID
CHEMBL208098
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
CL000828 HL60/MDR Homo sapiens (Human)  2
1
AC50 = 40000 nM
   TI
   LI
   LO
   TS
2
IC50 = 12000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [1,1':2',1'']-terphenyl-4,3'',5''-triol )
Drug Name [1,1':2',1'']-terphenyl-4,3'',5''-triol
Target(s)
Tyrosine-protein kinase ABL1 (ABL)
Inhibitor
Multidrug resistance protein 1 (ABCB1)
Inhibitor