General Information of the Compound
Compound ID
CP0533478
Compound Name
Lodoxamide
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Synonyms
Lodoxamide
Lodoxamide ethyl
Lodoxamide trometamol
Lodoxamide tromethamine
U-42585
U-42585E
U-42718
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Structure
Formula
C11H6ClN3O6
Molecular Weight
311.637
Canonical SMILES
OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N
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InChI
InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
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InChIKey
RVGLGHVJXCETIO-UHFFFAOYSA-N
CAS
53882-12-5
Physicochemical Property
logP
0.25788
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
156.59
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 44564
SID: 16828166
ChEMBL ID
CHEMBL1201266
DrugBank ID
DB06794
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lodoxamide )
Drug Name Lodoxamide
Indication
Asthma
Approved