General Information of the Compound
Compound ID
CP0179941
Compound Name
1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea
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Synonyms
1-(4-Chloro-2-hydroxy-3-sulfamoyl-phenyl)-3-(2,3-dichlorophenyl)urea
1-(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)-3-(2,3-dichlorophenyl)urea
276702-15-9
5HLP8UVL8M
AKOS027470251
BDBM50182254
CHEMBL3819292
MolPort-042-624-550
N-(3-(aminosulfonyl)-4-chloro-2-hydroxyphenyl)-N'-(2,3-dichlorophenyl) urea
N-(4-Chloro-2-hydroxy-3-aminosulfonylphenyl)-N'-(2,3-dichlorophenyl) Urea
N-(4-Chloro-2hydroxy-3-aminosulfonylphenyl)-N'-(2,3-dichlorophenyl) urea
SB 332235
SB-332235
SCHEMBL1535901
UNII-5HLP8UVL8M
WTLRWOHEKQGKDS-UHFFFAOYSA-N
ZINC3990011
n-(4-chloro-2-hydroxy-3-aminosulfonylphenyl)-n'-(2,3-dichlorophenyl)urea
sb332235
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Structure
Formula
C13H10Cl3N3O4S
Molecular Weight
410.666
Canonical SMILES
NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
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InChI
InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
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InChIKey
WTLRWOHEKQGKDS-UHFFFAOYSA-N
Physicochemical Property
logP
3.6438
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
121.52
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 9887803
SID: 14855342
ChEMBL ID
CHEMBL3819292
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: PT01013, C-X-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 316.23 nM
Clinical Information about the Compound
Drug 1 ( SB-332235 )
Drug Name SB-332235
Company GlaxoSmithKline
Indication
Chronic obstructive pulmonary disease
Discontinued in Phase 1
Target(s)
C-X-C chemokine receptor type 2 (CXCR2)
Antagonist