General Information of the Compound
Compound ID
CP0151767
Compound Name
(4-phenylphenyl)boranediol
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Synonyms
Biphenyl-4-ylboronic acid
Biphenylboronic acid
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Structure
Formula
C12H11BO2
Molecular Weight
198.03
Canonical SMILES
OB(O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
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InChIKey
XPEIJWZLPWNNOK-UHFFFAOYSA-N
CAS
5122-94-1
Physicochemical Property
logP
1.0334
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 151253
SID: 14867751
ChEMBL ID
CHEMBL485742
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Biphenyl-4-ylboronic acid )
Drug Name Biphenyl-4-ylboronic acid
Target(s)
Carbonic anhydrase I (CA-I)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor