General Information of the Compound
Compound ID
CP0039197
Compound Name
4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid (5-methyl-thiazol-2-yl)-amide
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Synonyms
Meloxicam
Meloxicam (SoluMatrix/arthritis)
Meloxicam (SoluMatrix/arthritis), iCeutica
Meloxicam nanoformulation capsules (arthritis), iCeutica
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Structure
Formula
C14H13N3O4S2
Molecular Weight
351.409
Canonical SMILES
CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O
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InChI
InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
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InChIKey
ZRVUJXDFFKFLMG-UHFFFAOYSA-N
CAS
71125-38-7
Physicochemical Property
logP
1.95092
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
99.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 54677470
SID: 14754262
ChEMBL ID
CHEMBL599
DrugBank ID
DB00814
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: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 77500 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 ~ 31622.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 938 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.49 nM
2 IC50 = 160 nM
3 IC50 = 330 nM
4 IC50 = 700 nM
5 IC50 = 57300 nM
Clinical Information about the Compound
Drug 1 ( Meloxicam )
Drug Name Meloxicam
Company Iroko pharmaceuticals
Indication
Arthritis
Approved
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
Inhibitor