Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T68967 | Target Info | |||
| Target Name | Sphingomyelin synthase (SMS) | ||||
| Synonyms |
SMS; Phosphatidylcholine:ceramide cholinephosphotransferase
Click to Show/Hide
|
||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SGMS1; SGMS2 | ||||
| Biochemical Class | Sphingomyelin synthase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 26 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-[(4-Chlorophenyl)methyl]-2-[4-[(4-chlorophenyl)methylsulfamoyl]phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613979
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 50000 nM
|
[1] | ||
| Compound Name |
N-(4-Methoxyphenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613989; ZINC409130933
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 50000 nM
|
[1] | ||
| Compound Name |
N-(2-Phenylethyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613981; ZINC409110122
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 50000 nM
|
[1] | ||
| Compound Name |
2-Anilino-2-(3-phenylmethoxyphenyl)acetonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3116075; BDBM50447011
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 50700 nM
|
[2] | ||
| Compound Name |
Sms2-IN-2
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4204352; 4-((2-chloro-5-fluorobenzyl)oxy)-N-(pyridin-3-yl)benzo[d]isoxazol-3-amine; SCHEMBL21267084; GTPL10054; TQP0935; BDBM50458921; sphingomyelin synthase 2 inhibitor 15w; compound 15w [PMID: 30074791]; HY-112713; CS-0062831; 4-[(2-chloro-5-fluorophenyl)methoxy]-N-(pyridin-3-yl)-1,2-benzoxazol-3-amine
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 56000 nM
|
[3] | ||
| Compound Name |
Tricyclo-decan-9-yl-xanthogenate (racemate)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1161894; LSM-5150; CBiol_001959; [?]yloxymethanedithioic acid; Lopac0_001242; KBioGR_000323; KBioSS_000323; SCHEMBL1535769; BCBcMAP01_000222; KBio2_000323; KBio2_002891; KBio2_005459; KBio3_000645; KBio3_000646; Bio1_000245; Bio1_000734; Bio1_001223; Bio2_000322; Bio2_000802; BDBM50282209; IDI1_002077; FT-0641899; Q27166303; 8-Tricyclo[5.2.1.02,6]decanyloxymethanedithioic acid
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 56000 nM
|
[4] | ||
| Sphingomyelin synthase 1 |
IC50 = 86000 nM
|
[4] | |||
| Compound Name |
Chembl4207944
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21267128; BDBM50458919
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 67000 nM
|
[3] | ||
| Compound Name |
[2-(Benzyloxy)phenyl][(2-methylphenyl)amino]acetonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3116079; BDBM50447009; STK967024; MCULE-9629987448
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 67200 nM
|
[2] | ||
| Compound Name |
Chembl4217676
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21267115; BDBM50458932
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 70000 nM
|
[3] | ||
| Compound Name |
Chembl4203399
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21266915; BDBM50458938
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 70000 nM
|
[3] | ||
| Compound Name |
2-(Furan-2-ylmethylamino)-2-(2-phenylmethoxyphenyl)acetonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3116248; BDBM50446998
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 71000 nM
|
[2] | ||
| Compound Name |
2-(2-Hydroxyphenyl)-3-phenyl-2,4-dihydro-1,3-benzoxazine-4-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3116074; NSC406561; BDBM50447013; NSC-406561
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 75000 nM
|
[2] | ||
| Compound Name |
Chembl4202973
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21267082; BDBM50458942
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 79000 nM
|
[3] | ||
| Compound Name |
Chembl4214637
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21267083; BDBM50458927
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 80000 nM
|
[3] | ||
| Compound Name |
4-[[Cyano-(2-phenylmethoxyphenyl)methyl]amino]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3116085; BDBM50447002
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 80500 nM
|
[2] | ||
| Compound Name |
N-[(4-Chlorophenyl)methyl]-2-[4-(3-phenylpropylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613978
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
4-[2-[(4-Chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-phenylethyl)benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613976
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
N-(2-Methylphenyl)-2-{4-[(2-phenylethyl)sulfamoyl]phenoxy}acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613991; ZINC2837102; STK114188; AKOS005399595; MCULE-4032423020; SR-01000265274; SR-01000265274-1
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
4-[2-[(4-Chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613977
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
N-(4-Fluoro-2-methoxyphenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613996
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
2-[4-(2-Phenylethylsulfamoyl)phenoxy]-N-[2-(trifluoromethoxy)phenyl]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613994
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
N-[(4-Chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613980; ZINC16490354
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
N-(2-Nitrophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613992
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
N-(2-Cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613993
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[1] | ||
| Compound Name |
Chembl4162182
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50282210
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 ~ 100000 nM
|
[4] | ||
| Compound Name |
2-Anilino-2-(2-phenylmethoxyphenyl)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3116250; BDBM50446997
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 135300 nM
|
[2] | ||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Potassium;[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3613997
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 1 |
IC50 = 219000 nM
|
[1] | ||
| Compound Name |
Potassium O-(octahydro-4,7-methano-1H-inden-5-yl) dithiocarbonate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
D-609 potassium; D-609; SPK-601; potassium O-(octahydro-1H-4,7-methanoinden-5-yl) carbonodithioate; CHEMBL404954; O-Tricyclo[5.2.1.02,6]dec-9-yl dithiocarbonate Potassium salt; tricyclodecane-9-yl-xanthogenate; D609, Potassium Salt; Tricyclodecan-9-yl xanthogenate potassium salt; MFCD00171401; D 609; Tricyclodecan-9-yl-xanthogenate, K; EINECS 280-379-9; UNII-5QC1Z07M77; 5QC1Z07M77; HMS1362A05; HMS3263J06; HMS3267J20; HMS3403A05; HMS3412B07; HMS3676B07; Tox21_501242; AKOS024456596; AKOS025147303; O-(Octahydro-4,7-methano-1H-inden-5-yl)carbonodithioate potassium salt; CCG-207969; CCG-222546; CS-0078; LP01242; NCGC00016205-02; NCGC00025162-02; NCGC00094483-01; NCGC00261927-01; HY-70072; EU-0101242; T 8543; SR-01000597564; SR-01000597564-1; (Tricyclo[5.2.1.0~2,6~]Dec-8-Yloxy)Carbonothioylsulfide; O-(Octahydro-4,7-methano-1H-inden-5-yl) carbonopotassium dithioate; O-tricyclo[5.2.1.02,6] dec-9-yl dithiocarbonate potassium salt; potassium ({tricyclo[5.2.1.0?,?]decan-8-yloxy}methanethioyl)sulfanide; Carbonodithioic acid, O-(octahydro-4,7-methano-1H-inden-5-yl) ester potassium
Click to Show/Hide
|
||||
| Activity | Sphingomyelin synthase 2 |
IC50 = 224000 nM
|
[2] | ||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors. Bioorg Med Chem. 2015 Sep 15;23(18):6173-84. | ||||
| REF 2 | Identification of small molecule sphingomyelin synthase inhibitors. Eur J Med Chem. 2014 Feb 12;73:1-7. | ||||
| REF 3 | Discovery of 4-Benzyloxybenzo[ d]isoxazole-3-amine Derivatives as Highly Selective and Orally Efficacious Human Sphingomyelin Synthase 2 Inhibitors that Reduce Chronic Inflammation in db/ db Mice. J Med Chem. 2018 Sep 27;61(18):8241-8254. | ||||
| REF 4 | Discovery and characterization of selective human sphingomyelin synthase 2 inhibitors. Eur J Med Chem. 2017 Aug 18;136:283-293. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.