General Information of the Compound
Compound ID
CP0040528
Compound Name
3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid
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Synonyms
3-(4, 5-Diphenyl-2-oxazo
3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid
3-(4,5-Diphenyl-2-oxazolyl)propenoic acid
4, 5-Diphenyl-2-oxazolepropionic acid
4,5-Diphenyl-2-oxazolepropanoic acid
4,5-Diphenyl-2-oxazolepropionic acid
Actirin
Alvo
Apo-Oxaprozin
Apotex brand of oxaprozin
Beta-(4,5-Diphenyloxazol-2-yl)propionic acid
CSC brand of oxaprozin
Danoprox
Daypro
Daypro (TN)
Dayrun
Deflam
Duraprox (TN)
Lyl)propenoic acid
NCI310839
O 9637
Oxaprozin
Oxaprozin (JP15/USAN/INN)
Oxaprozin [USAN:BAN:INN:JAN]
Oxaprozina
Oxaprozina [INN-Spanish]
Oxaprozine
Oxaprozine [INN-French]
Oxaprozinum
Oxaprozinum [INN-Latin]
Pfizer brand of oxaprozin
Rhoxal-oxaprozin
Rhoxalpharma brand of oxaprozin
TRB brand of oxaprozin
Voir
WY 21743
WY-21,743
WY-21743
Xopane
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Structure
Formula
C18H15NO3
Molecular Weight
293.322
Canonical SMILES
OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
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InChIKey
OFPXSFXSNFPTHF-UHFFFAOYSA-N
CAS
21256-18-8
Physicochemical Property
logP
4.0258
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
63.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 4614
SID: 14922602
ChEMBL ID
CHEMBL1071
DrugBank ID
DB00991
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: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 13335.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 16100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02769, Retinoic acid receptor RXR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 40100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Oxaprozin )
Drug Name Oxaprozin
Company Gd Searle Llc
Indication
Rheumatoid arthritis
Approved