Detailed information for compound 1412037

Basic information

Technical information
  • TDR Targets ID: 1412037
  • Name: 7-morpholin-4-ylsulfonyl-5-[[3-(trifluorometh yl)phenyl]methyl]-1,2,3,3a-tetrahydropyrrolo[ 2,1-c]quinoxalin-4-one
  • MW: 495.515 | Formula: C23H24F3N3O4S
  • H donors: 0 H acceptors: 3 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C2CCCN2c2c(N1Cc1cccc(c1)C(F)(F)F)cc(cc2)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C23H24F3N3O4S/c24-23(25,26)17-4-1-3-16(13-17)15-29-21-14-18(34(31,32)27-9-11-33-12-10-27)6-7-19(21)28-8-2-5-20(28)22(29)30/h1,3-4,6-7,13-14,20H,2,5,8-12,15H2
  • InChiKey: GCUZZESXKVAPOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-morpholinosulfonyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,3a-tetrahydropyrrolo[2,1-c]quinoxalin-4-one
  • 7-morpholinosulfonyl-5-[3-(trifluoromethyl)benzyl]-1,2,3,3a-tetrahydropyrrolo[2,1-c]quinoxalin-4-one
  • 7-(morpholinosulfonyl)-5-[3-(trifluoromethyl)benzyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
  • MLS000549348
  • SMR000168931
  • 10W-0202

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative 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
Trypanosoma cruzi cytochrome P450, putative 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
Leishmania major 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 cruzi cytochrome P450, putative 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
Trypanosoma congolense cytochrome P450, putative 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
Loa Loa (eye worm) cytochrome P450 family 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
Leishmania donovani cytochrome p450-like protein 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
Trypanosoma brucei 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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein 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
Loa Loa (eye worm) hypothetical protein 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
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.1262 0.5
Schistosoma mansoni vesicular amine transporter 0.006 0.0765 0.2017
Echinococcus granulosus roundabout 2 0.0028 0.0173 0.0157
Trypanosoma brucei cdc2-related kinase 1 0.0087 0.1262 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0079 0.0044
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0079 0.5
Echinococcus granulosus lachesin 0.0025 0.0107 0.009
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0026 0.0121 0.0106
Loa Loa (eye worm) hypothetical protein 0.0064 0.0831 0.0799
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0121 0.0121
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0173 0.0173
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0169 0.2787 0.2761
Trypanosoma cruzi cdc2-related kinase 3 0.0087 0.1262 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0375 0.0342
Echinococcus granulosus neuroglian 0.0075 0.1033 0.1023
Loa Loa (eye worm) hypothetical protein 0.0064 0.0831 0.0799
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0107 0.0107
Schistosoma mansoni cell adhesion molecule 0.0025 0.0107 0.0283
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0131 0.2079 0.2052
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Loa Loa (eye worm) hypothetical protein 0.0089 0.1295 0.1264
Schistosoma mansoni tyrosine kinase 0.0214 0.3624 0.955
Brugia malayi Cytochrome P450 family protein 0.0023 0.0079 0.0079
Brugia malayi Peroxidasin 0.0025 0.0107 0.0107
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0028 0.0173 0.0157
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0078 0.1101 0.107
Loa Loa (eye worm) TK protein kinase 0.0026 0.0121 0.0086
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0071 0.0959 0.0948
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0558 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0035 0.0035
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0555 0.9948 1
Loa Loa (eye worm) STE/STE20/SLK protein kinase 0.016 0.2608 0.2582
Onchocerca volvulus Tyrosine kinase homolog 0.051 0.9114 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0173 0.0173
Echinococcus multilocularis STE20 serine:threonine protein kinase 0.0455 0.8092 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0173 0.0173
Schistosoma mansoni titin 0.0034 0.0268 0.0706
Brugia malayi Cytochrome P450 family protein 0.0023 0.0079 0.0079
Schistosoma mansoni Neurotrimin precursor (hNT) 0.006 0.0765 0.2017
Loa Loa (eye worm) TK/ROR protein kinase 0.0026 0.0121 0.0086
Echinococcus granulosus cyclin dependent kinase 0.0087 0.1262 0.1254
Brugia malayi Protein kinase domain containing protein 0.0141 0.2259 0.2259
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0028 0.0173 0.0456
Echinococcus granulosus roundabout 2 0.0089 0.1293 0.1285
Echinococcus multilocularis tyrosine protein kinase otk 0.0025 0.0107 0.009
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.2787 0.7343
Brugia malayi Protein kinase domain containing protein 0.0042 0.0432 0.0432
Plasmodium falciparum protein kinase 5 0.0087 0.1262 1
Entamoeba histolytica protein kinase domain containing protein 0.0169 0.2787 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0028 0.0173 0.0171
Schistosoma mansoni septate junction protein 0.0025 0.0107 0.0283
Schistosoma mansoni septate junction protein 0.0025 0.0107 0.0283
Brugia malayi Prion-like- 0.0025 0.0107 0.0107
Brugia malayi protein unc-22 0.0021 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.006 0.0765 0.0733
Loa Loa (eye worm) TK/DDR protein kinase 0.0125 0.1958 0.1929
Brugia malayi Raf kinase 0.0216 0.3657 0.3657
Brugia malayi Fibronectin type III domain containing protein 0.0064 0.0831 0.0831
Echinococcus multilocularis cyclin dependent kinase 1 0.0087 0.1262 0.1523
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0087 0.1262 0.1232
Brugia malayi Tyrosine-protein kinase abl-1 0.0126 0.1975 0.1975
Plasmodium vivax protein kinase Crk2 0.0087 0.1262 1
Loa Loa (eye worm) cmgc/cdk/pitslre protein kinase 0.0042 0.0432 0.0398
Trypanosoma cruzi cdc2-related kinase 3 0.0087 0.1262 1
Giardia lamblia Kinase, CMGC CDK 0.0087 0.1262 0.5
Schistosoma mansoni tyrosine kinase 0.0036 0.0315 0.0829
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0025 0.0107 0.0072
Schistosoma mansoni neuroglian 0.0028 0.0173 0.0456
Echinococcus multilocularis roundabout 2 0.0028 0.0173 0.0171
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0079 0.0044
Echinococcus granulosus discoidin domain receptor 0.013 0.2052 0.2048
Onchocerca volvulus Netrin receptor homolog 0.0023 0.0074 0.0043
Loa Loa (eye worm) hypothetical protein 0.0028 0.0173 0.0138
Brugia malayi Protein kinase domain containing protein 0.0087 0.1262 0.1262
Onchocerca volvulus 0.0141 0.2259 0.2449
Schistosoma mansoni nephrin 0.0078 0.1099 0.2896
Loa Loa (eye worm) hypothetical protein 0.0125 0.1958 0.1929
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.006 0.0765 0.2017
Echinococcus multilocularis roundabout 2 0.0028 0.0173 0.0171
Schistosoma mansoni nephrin 0.0028 0.0173 0.0456
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0028 0.0173 0.0171
Schistosoma mansoni serine/threonine protein kinase 0.0078 0.1101 0.2902
Echinococcus granulosus defective proboscis extension response 0.006 0.0765 0.0753
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0087 0.1262 0.1232
Giardia lamblia Kinase, CMGC CDK 0.0087 0.1262 0.5
Echinococcus multilocularis Immunoglobulin 0.006 0.0765 0.0906
Loa Loa (eye worm) hypothetical protein 0.0084 0.1206 0.1175
Echinococcus multilocularis Immunoglobulin 0.006 0.0765 0.0906
Echinococcus granulosus peroxidasin 0.0025 0.0107 0.009
Brugia malayi cell division control protein 2 homolog 0.0087 0.1262 0.1262
Echinococcus multilocularis roundabout 2 0.0089 0.1293 0.1561
Schistosoma mansoni titin 0.0021 0.0035 0.0092
Echinococcus granulosus cyclin dependent kinase 1 0.0087 0.1262 0.1254
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0831 0.0831
Echinococcus granulosus cyclin dependent kinase 11B 0.0042 0.0432 0.0417
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0087 0.1262 1
Brugia malayi hypothetical protein 0.0039 0.0375 0.0375
Loa Loa (eye worm) hypothetical protein 0.0085 0.1227 0.1197
Schistosoma mansoni hypothetical protein 0.0027 0.014 0.0368
Echinococcus granulosus neuroglian 0.0028 0.0173 0.0157
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.1262 0.3327
Echinococcus granulosus titin 0.0021 0.0035 0.0018
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0169 0.2787 0.2787
Echinococcus granulosus twitchin 0.0078 0.1089 0.1079
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.1262 0.5
Echinococcus granulosus cyclin dependent kinase 7 0.0078 0.1101 0.1091
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.1262 0.3327
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Loa Loa (eye worm) hypothetical protein 0.013 0.2052 0.2024
Echinococcus multilocularis lachesin 0.0025 0.0107 0.009
Echinococcus multilocularis basement membrane specific heparan sulfate 0.006 0.0765 0.0906
Trypanosoma cruzi cdc2-related kinase 1 0.0087 0.1262 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0738 0.0705
Schistosoma mansoni serine/threonine protein kinase 0.0078 0.1101 0.2902
Echinococcus granulosus STE20 serine:threonine protein kinase 0.0455 0.8092 0.8132
Echinococcus multilocularis hemicentin 1 0.0034 0.0268 0.0289
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0169 0.2787 0.2789
Brugia malayi Tyrosine-protein kinase abl-1 0.0095 0.1404 0.1404
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0087 0.1262 0.1232
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0026 0.0121 0.0104
Echinococcus granulosus tyrosine protein kinase otk 0.0025 0.0107 0.009
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0028 0.0173 0.0171
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0087 0.1262 1
Loa Loa (eye worm) hypothetical protein 0.0452 0.8036 0.8029
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0025 0.0107 0.0283
Echinococcus granulosus Immunoglobulin 0.006 0.0765 0.0753
Echinococcus multilocularis raf serine:threonine protein kinase 0.0224 0.3795 0.4667
Echinococcus multilocularis neuroglian 0.0028 0.0173 0.0171
Onchocerca volvulus 0.0476 0.8478 0.9299
Echinococcus multilocularis peroxidasin 0.0025 0.0107 0.009
Trypanosoma cruzi cdc2-related kinase 1 0.0087 0.1262 1
Schistosoma mansoni roundabout 0.0025 0.0107 0.0283
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Echinococcus granulosus titin 0.0021 0.0035 0.0018
Loa Loa (eye worm) hypothetical protein 0.006 0.0765 0.0733
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0079 0.0044
Schistosoma mansoni serine/threonine protein kinase 0.0224 0.3795 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0028 0.0173 0.0171
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0034 0.0268 0.0256
Schistosoma mansoni protein kinase 0.016 0.2608 0.6873
Brugia malayi hypothetical protein 0.0064 0.0831 0.0831
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0217 0.3679 0.4523
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0107 0.0107
Echinococcus granulosus contactin 0.0037 0.0334 0.0318
Trypanosoma brucei cdc2-related kinase 3 0.0087 0.1262 1
Echinococcus granulosus cyclin dependent kinase 5 0.0087 0.1262 0.1254
Echinococcus multilocularis cyclin dependent kinase 1 0.0087 0.1262 0.1523
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0028 0.0173 0.0138
Brugia malayi Protein kinase domain containing protein 0.016 0.2608 0.2608
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0107 0.0107
Loa Loa (eye worm) raf kinase 0.0213 0.3588 0.3565
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0025 0.0107 0.0072
Loa Loa (eye worm) hypothetical protein 0.0094 0.1388 0.1358
Echinococcus multilocularis tyrosine protein kinase Abl 0.0095 0.1404 0.1698
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0025 0.0107 0.009
Echinococcus granulosus raf serine:threonine protein kinase 0.0224 0.3795 0.3804
Onchocerca volvulus 0.0027 0.014 0.0115
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0087 0.1262 0.1254
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0087 0.1262 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.006 0.0765 0.0733
Loa Loa (eye worm) hypothetical protein 0.0071 0.0959 0.0928
Schistosoma mansoni cell adhesion molecule 0.0074 0.1025 0.2701
Echinococcus multilocularis cyclin dependent kinase 0.0087 0.1262 0.1523
Brugia malayi Cytochrome P450 family protein 0.0059 0.0738 0.0738
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.1262 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0031 0.0229 0.0195
Echinococcus multilocularis hemicentin 1 0.0025 0.0107 0.009
Onchocerca volvulus 0.0023 0.0074 0.0043
Echinococcus granulosus tyrosine protein kinase ABL1 0.0217 0.3679 0.3688
Loa Loa (eye worm) hypothetical protein 0.0064 0.0831 0.0799
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0035 0.0092
Echinococcus multilocularis neuroglian 0.0075 0.1033 0.1239
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0169 0.2787 0.3415
Echinococcus multilocularis cyclin dependent kinase 11B 0.0042 0.0432 0.0492
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.0107 0.0107
Echinococcus multilocularis cyclin dependent kinase 5 0.0087 0.1262 0.1523
Onchocerca volvulus Putative titin 0.0023 0.0074 0.0043
Schistosoma mansoni cell adhesion molecule 0.0028 0.0173 0.0456
Loa Loa (eye worm) TK/ABL protein kinase 0.0217 0.3679 0.3657
Echinococcus granulosus roundabout 2 0.0028 0.0173 0.0157
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0432 0.1137
Echinococcus multilocularis cyclin dependent kinase 7 0.0078 0.1101 0.1323
Schistosoma mansoni cell adhesion molecule 0.0028 0.0173 0.0456
Echinococcus granulosus hemicentin 1 0.0034 0.0268 0.0252
Brugia malayi cyclin-dependent kinase 7 homolog 0.0078 0.1101 0.1101

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-cyp1a2 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.548133892 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) = 5.011872336 uM 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) = 15.84893192 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
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.5221 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.0418 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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