General Information of the Compound
Compound ID
CP0493304
Compound Name
2-(2,4-diphenylthiazol-5-yl)acetic acid
    Show/Hide
Synonyms
(diphenyl-1,3-thiazol-5-yl)acetic acid
2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid
2-(2,4-diphenylthiazol-5-yl)acetic acid
21256-15-5
4K-539S
7213AD
AC1MC90U
AJ-17064
AKOS005070458
AM803507
BDBM50309445
Bionet2_000936
CHEMBL592001
CS-0039039
CTK4E6215
DTXSID40377203
FT-0680367
HMS1366K12
HMS2377A22
I04-4316
J-505484
KB-220568
KS-00001A6R
MCULE-6578968783
MLS000327963
MolPort-002-345-061
Oprea1_148343
RP15938
SBB077302
SCHEMBL4497493
SMR000168586
TR-009976
ZINC169124
diphenylthiazolylaceticacid
    Show/Hide
Structure
Formula
C17H13NO2S
Molecular Weight
295.363
Canonical SMILES
OC(=O)Cc1sc(nc1-c1ccccc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H13NO2S/c19-15(20)11-14-16(12-7-3-1-4-8-12)18-17(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
    Show/Hide
InChIKey
WNGOHXAHAKLKAR-UHFFFAOYSA-N
Physicochemical Property
logP
4.1042
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
50.19
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2763923
ChEMBL ID
CHEMBL592001
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: PT01171, Prostaglandin D2 receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000771 HEK385-7
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2,4-diphenylthiazol-5-yl)acetic acid )
Drug Name 2-(2,4-diphenylthiazol-5-yl)acetic acid
Target(s)
Prostaglandin D2 receptor 2 (PTGDR2)
 Target Info 
Inhibitor