General Information of the Compound
Compound ID
CP0309938
Compound Name
2-(4-Methoxy-phenyl)-5-phenyl-thiazol-4-ol
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Synonyms
2-(4-Methoxy-phenyl)-5-phenyl-thiazol-4-ol
2-(4-Methoxyphenyl)-5-phenylthiazol-4-ol
BDBM50012392
CHEMBL65940
Oprea1_607545
SCHEMBL9629437
YQAKORGQQCUKEJ-UHFFFAOYSA-N
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Structure
Formula
C16H13NO2S
Molecular Weight
283.352
Canonical SMILES
COc1ccc(cc1)-c1nc(O)c(s1)-c1ccccc1
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InChI
InChI=1S/C16H13NO2S/c1-19-13-9-7-12(8-10-13)16-17-15(18)14(20-16)11-5-3-2-4-6-11/h2-10,18H,1H3
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InChIKey
YQAKORGQQCUKEJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1913
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 14425906
ChEMBL ID
CHEMBL65940
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 370 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 450 nM
Clinical Information about the Compound
Drug 1 ( 2-(4-Methoxy-phenyl)-5-phenyl-thiazol-4-ol )
Drug Name 2-(4-Methoxy-phenyl)-5-phenyl-thiazol-4-ol
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor