Detailed information for compound 1441717

Basic information

Technical information
  • TDR Targets ID: 1441717
  • Name: 3-(4-chlorophenyl)sulfonyl-N,4,6-trimethylpyr idin-2-amine
  • MW: 310.799 | Formula: C14H15ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 3.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc(C)cc(c1S(=O)(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C14H15ClN2O2S/c1-9-8-10(2)17-14(16-3)13(9)20(18,19)12-6-4-11(15)5-7-12/h4-8H,1-3H3,(H,16,17)
  • InChiKey: SQUMCXNLFLBFQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-chlorophenyl)sulfonyl-N,4,6-trimethyl-pyridin-2-amine
  • 3-(4-chlorophenyl)sulfonyl-N,4,6-trimethyl-2-pyridinamine
  • [3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-pyridyl]-methyl-amine
  • MLS000326570
  • N-{3-[(4-chlorophenyl)sulfonyl]-4,6-dimethyl-2-pyridinyl}-N-methylamine
  • SMR000179183
  • 9M-323S
  • Oprea1_192331

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Echinococcus granulosus slit 2 protein 0.0511 0.3093 0.3027
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Brugia malayi Blistered cuticle protein 3 0.1581 1 1
Onchocerca volvulus Peroxidasin homolog 0.1581 1 1
Echinococcus multilocularis protein jagged 1 0.0511 0.3093 0.3027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0153 0.0059
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0311 0.025
Brugia malayi notch-like transmembrane receptor 0.0511 0.3093 0.3093
Echinococcus granulosus protein jagged 2 0.0511 0.3093 0.3027
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Echinococcus multilocularis neurogenic locus notch protein 4 0.0511 0.3093 0.3027
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Onchocerca volvulus Dual oxidase homolog 0.1581 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0153 0.0153
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0511 0.3093 0.305
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0185 0.0185
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0311 0.0311
Brugia malayi GCC2 and GCC3 family protein 0.0511 0.3093 0.3093
Echinococcus multilocularis notch 0.0511 0.3093 0.3027
Schistosoma mansoni notch 0.0511 0.3093 0.305
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Echinococcus granulosus protein jagged 2 0.0511 0.3093 0.3027
Echinococcus multilocularis neural cadherin 0.0511 0.3093 0.3027
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0153 0.0059
Echinococcus multilocularis fat cadherin tumor suppressor 0.0511 0.3093 0.3027
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0311 0.0311
Loa Loa (eye worm) animal heme peroxidase 0.1581 1 1
Echinococcus granulosus protein jagged 1 0.0511 0.3093 0.3027
Loa Loa (eye worm) animal heme peroxidase 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Brugia malayi Peroxidasin 0.1581 1 1
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Schistosoma mansoni notch 0.0511 0.3093 0.305
Echinococcus multilocularis slit 2 protein 0.0511 0.3093 0.3027
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0311 0.0219
Schistosoma mansoni septate junction protein 0.0511 0.3093 0.305
Echinococcus multilocularis protein jagged 1 0.0511 0.3093 0.3027
Schistosoma mansoni peroxidasin 0.1581 1 1
Echinococcus granulosus fibropellin Ia 0.0511 0.3093 0.3027
Schistosoma mansoni notch 0.0511 0.3093 0.305
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Echinococcus granulosus protein jagged 1 0.0511 0.3093 0.3027
Brugia malayi Animal haem peroxidase family protein 0.1581 1 1
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Echinococcus multilocularis neurogenic locus protein delta 0.0511 0.3093 0.3027
Echinococcus granulosus peroxidasin 0.1581 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0511 0.3093 0.3093
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0311 0.0219
Brugia malayi Muscle positioning protein 4 0.0511 0.3093 0.3093
Echinococcus granulosus neurogenic locus notch protein 0.0511 0.3093 0.3027
Echinococcus granulosus neurogenic locus notch protein 4 0.0511 0.3093 0.3027
Toxoplasma gondii EGF family domain-containing protein 0.0511 0.3093 0.5
Loa Loa (eye worm) animal heme peroxidase 0.1581 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0511 0.3093 0.3027
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0311 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Onchocerca volvulus Peroxidasin homolog 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Echinococcus granulosus neurogenic locus notch protein 0.0511 0.3093 0.3027
Brugia malayi Calcium binding EGF domain containing protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Echinococcus granulosus neural cadherin 0.0511 0.3093 0.3027
Schistosoma mansoni peroxidasin 0.1581 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0153 0.0091
Brugia malayi Animal haem peroxidase family protein 0.1581 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Schistosoma mansoni notch 0.0511 0.3093 0.305
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0185 0.0185
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0511 0.3093 0.3093
Echinococcus multilocularis neurogenic locus protein delta 0.0511 0.3093 0.3027
Onchocerca volvulus Chorion peroxidase homolog 0.1581 1 1
Schistosoma mansoni laminin gamma-3 chain 0.0511 0.3093 0.305
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Onchocerca volvulus 0.1581 1 1
Brugia malayi Animal haem peroxidase family protein 0.1581 1 1
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) blistered cuticle protein 3 0.1581 1 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0311 0.5
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Schistosoma mansoni cell polarity protein 0.0511 0.3093 0.305
Loa Loa (eye worm) Notch2 0.0511 0.3093 0.3093
Schistosoma mansoni notch 0.0511 0.3093 0.305
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0153 0.0059
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Brugia malayi Animal haem peroxidase family protein 0.1581 1 1
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.006 0.0185 0.0185
Brugia malayi Cadherin domain containing protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Echinococcus granulosus notch 0.0511 0.3093 0.3027
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0311 0.5
Echinococcus granulosus neurogenic locus protein delta 0.0511 0.3093 0.3027
Schistosoma mansoni notch 0.0511 0.3093 0.305
Onchocerca volvulus 0.1581 1 1
Brugia malayi Cadherin domain containing protein 0.0511 0.3093 0.3093
Echinococcus multilocularis protein jagged 2 0.0511 0.3093 0.3027
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Brugia malayi Delta serrate ligand family protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0311 0.5
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) notch protein 0.0511 0.3093 0.3093
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Schistosoma mansoni hypothetical protein 0.0511 0.3093 0.305
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Onchocerca volvulus Peroxidase homolog 0.1581 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Echinococcus granulosus delta-like protein 1 0.0511 0.3093 0.3027
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0153 0.0059
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0185 0.0185
Echinococcus multilocularis peroxidasin 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Brugia malayi Animal haem peroxidase family protein 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Schistosoma mansoni slit 0.0511 0.3093 0.305
Onchocerca volvulus 0.1581 1 1
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0511 0.3093 0.3027
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Giardia lamblia High cysteine protein 0.0511 0.3093 0.5
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093
Brugia malayi EGF-like domain containing protein 0.0511 0.3093 0.3093
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0311 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0153 0.0091
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Onchocerca volvulus Peroxidase homolog 0.1581 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0153 0.0091
Echinococcus multilocularis fibropellin Ia 0.0511 0.3093 0.3027
Loa Loa (eye worm) hypothetical protein 0.0511 0.3093 0.3093

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.707945784 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 4.466835922 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 28.18382931 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.