General Information of the Compound
Compound ID
CP0081955
Compound Name
Fevipiprant
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Synonyms
(1-(4-((Methane)sulfonyl)-2-trifluoromethylbenzyl)-2-methyl-1H-pyrrolo(2,3-b)pyridin-3-yl)acetic acid
(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
1-(4-methanesulfonylbenzyl)-2-methyl-1H-pyrrolo(2,3-b)pyridin-3-yl)acetic acid
2-(1-((4-Methanesulfonyl-2-(trifluoromethyl)phenyl)methyl(-2-methyl-1H-pyrrolo(2,3-b)pyridin-3-yl)acetic acid
2-(1-{[4-methanesulfonyl-2-(trifluoromethyl)phenyl]methyl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
2-Methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-acetic acid
2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid
2PEX5N7DQ4
872365-14-5
AB85348
AC-31956
AS-74870
BCP25015
BDBM50233520
CHEMBL3137332
CS-5956
D10631
DB12011
DS-022511
EX-A2495
FSY
FT-0774596
Fevipiprant
Fevipiprant (JAN/USAN/INN)
Fevipiprant [INN]
Fevipiprant [USAN:INN]
GTPL8995
HMS3743E19
HY-16768
NVP-QAW039
Q27077292
QAW 039
QAW-039
QAW039
SB16897
SCHEMBL1940595
UNII-2PEX5N7DQ4
ZINC43101772
[1-(4-Methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
[2-METHYL-1-[4-(METHYLSULFONYL)-2-(TRIFLUOROMETHYL)BENZYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]ACETIC ACID
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Structure
Formula
C19H17F3N2O4S
Molecular Weight
426.416
Canonical SMILES
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
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InChI
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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InChIKey
GFPPXZDRVCSVNR-UHFFFAOYSA-N
CAS
872365-14-5
Physicochemical Property
logP
3.44242
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
89.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 23582412
SID: 46387682
ChEMBL ID
CHEMBL3137332
DrugBank ID
DB12011
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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Kd = 1.023 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.4 nM
Clinical Information about the Compound
Drug 1 ( Fevipiprant )
Drug Name Fevipiprant
Company Novartis
Indication
Asthma
Phase 3
Target(s)
Prostaglandin D2 receptor 2 (PTGDR2)
 Target Info 
Antagonist