Detailed information for compound 1366317

Basic information

Technical information
  • TDR Targets ID: 1366317
  • Name: 2-(azepan-1-yl)-N-[4-(3,5-dimethylpiperidin-1 -yl)sulfonylphenyl]acetamide
  • MW: 407.57 | Formula: C21H33N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)CN1CCCCCC1
  • InChi: 1S/C21H33N3O3S/c1-17-13-18(2)15-24(14-17)28(26,27)20-9-7-19(8-10-20)22-21(25)16-23-11-5-3-4-6-12-23/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,22,25)
  • InChiKey: ZXMUBSCVNKOHLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(azepan-1-yl)-N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]acetamide
  • 2-(1-azepanyl)-N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]acetamide
  • 2-(azepan-1-yl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanamide
  • T5607351

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0172 0.0222
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0182
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3493 0.6122
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1158 0.1501
Echinococcus granulosus dna polymerase eta 0.0054 0.0204 0.0264
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.0122 0.0434
Loa Loa (eye worm) hypothetical protein 0.0274 0.2534 0.3284
Schistosoma mansoni DNA topoisomerase type I 0.0572 0.5684 0.7367
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0041 0.0067 0.0087
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3493 0.6122
Echinococcus multilocularis acetylcholinesterase 0.0274 0.2534 0.2534
Brugia malayi MH2 domain containing protein 0.0144 0.1158 0.1501
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0124
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0104 0.0134
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0174 0.0249
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0122 0.0122
Echinococcus multilocularis DNA topoisomerase 1 0.0764 0.7716 0.7716
Echinococcus multilocularis chromobox protein 1 0.0084 0.0522 0.0522
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0054 0.5
Schistosoma mansoni DNA topoisomerase type I 0.0764 0.7716 1
Brugia malayi DNA topoisomerase I 0.0764 0.7716 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0172 0.0222
Leishmania major DNA topoisomerase IB, large subunit 0.0572 0.5684 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0122 0.0122
Echinococcus granulosus neuroligin 0.0046 0.0122 0.0158
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3567 0.4623
Schistosoma mansoni hypothetical protein 0.0041 0.0067 0.0087
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0169 0.1553
Echinococcus multilocularis geminin 0.0205 0.1798 0.1798
Echinococcus granulosus DNA topoisomerase 1 0.0764 0.7716 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1459 0.2522
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0169 0.1553
Schistosoma mansoni chromobox protein 0.0084 0.0522 0.0677
Echinococcus multilocularis acetylcholinesterase 0.0274 0.2534 0.2534
Leishmania major DNA polymerase eta, putative 0.0054 0.0204 0.0301
Loa Loa (eye worm) inositol-1 0.0045 0.0104 0.0134
Echinococcus granulosus expressed conserved protein 0.0112 0.0814 0.1055
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1459 0.2522
Loa Loa (eye worm) DNA topoisomerase I 0.0764 0.7716 1
Echinococcus granulosus acetylcholinesterase 0.0274 0.2534 0.3284
Schistosoma mansoni hypothetical protein 0.0205 0.1798 0.233
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0172 0.1623
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0054 0.0204 0.0264
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.2534 0.3284
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0122 0.0116
Leishmania major DNA topoisomerase type IB small subunit 0.0192 0.1663 0.2883
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0269 0.0348
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0174 0.0249
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0122 0.042
Brugia malayi Inositol-1 0.0045 0.0104 0.0134
Toxoplasma gondii hypothetical protein 0.0059 0.0254 0.0329
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0522 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.0122 0.0434
Echinococcus multilocularis neuroligin 0.0046 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Loa Loa (eye worm) hypothetical protein 0.0274 0.2534 0.3284
Toxoplasma gondii DNA topoisomerase I, putative 0.0764 0.7716 1
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Schistosoma mansoni acetylcholinesterase 0.0046 0.0122 0.0158
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0104 0.0134
Brugia malayi Heterochromatin protein 1 0.0084 0.0522 0.0677
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0122 0.042
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.089 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0522 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0522 0.0677
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0522 0.0677
Loa Loa (eye worm) hypothetical protein 0.0037 0.0023 0.003
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1459 0.2567
Schistosoma mansoni inositol monophosphatase 0.0045 0.0104 0.0134
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3493 0.6145
Echinococcus granulosus chromobox protein 1 0.0084 0.0522 0.0677
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.143 0.1854
Loa Loa (eye worm) acetylcholinesterase 1 0.0274 0.2534 0.3284
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0104 0.0104
Plasmodium falciparum topoisomerase I 0.0764 0.7716 1
Echinococcus multilocularis expressed conserved protein 0.0112 0.0814 0.0814
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0192 0.1663 0.2925
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3493 0.6122
Echinococcus granulosus carboxylesterase 5A 0.0274 0.2534 0.3284
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0192 0.1663 0.2883
Echinococcus multilocularis chromobox protein 1 0.0084 0.0522 0.0522
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1665 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0269 0.0348
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0122 0.0158
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0124
Schistosoma mansoni patched 1 0.0051 0.0172 0.0222
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Schistosoma mansoni DNA polymerase eta 0.0054 0.0204 0.0264
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Echinococcus multilocularis protein patched 0.0051 0.0172 0.0172
Plasmodium vivax topoisomerase I, putative 0.0764 0.7716 1
Echinococcus multilocularis snurportin 1 0.0372 0.3567 0.3567
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0169 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.091 0.1179
Loa Loa (eye worm) carboxylesterase 0.0046 0.0122 0.0158
Schistosoma mansoni gliotactin 0.0046 0.0122 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0131 0.0647
Echinococcus granulosus acetylcholinesterase 0.0274 0.2534 0.3284
Brugia malayi hypothetical protein 0.0046 0.0122 0.0158
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0204 0.0301
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0293 0.0459
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.089 0.089
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.143 0.143
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0119 0.089 0.1154
Loa Loa (eye worm) hypothetical protein 0.0062 0.0293 0.038
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1158 0.1501
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus granulosus snurportin 1 0.0372 0.3567 0.4623
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0122 0.0158
Echinococcus multilocularis carboxylesterase 5A 0.0274 0.2534 0.2534
Brugia malayi chromobox protein homolog 3 0.0047 0.0131 0.0169
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0205 0.1798 0.233
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0124
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0122 0.0158
Loa Loa (eye worm) carboxylesterase 0.0046 0.0122 0.0158
Schistosoma mansoni chromobox protein 0.0084 0.0522 0.0677
Loa Loa (eye worm) hypothetical protein 0.006 0.0269 0.0348
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0122 0.0158
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0131 0.7399
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0122 0.0158
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0269 0.0348
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.089 0.1154
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Brugia malayi Carboxylesterase family protein 0.0274 0.2534 0.3284
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0131 0.0647
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0172 0.0222
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0174 0.0249
Schistosoma mansoni hypothetical protein 0.0372 0.3567 0.4623
Brugia malayi Carboxylesterase family protein 0.0274 0.2534 0.3284
Brugia malayi CHE-14 protein 0.0051 0.0172 0.0222
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0174 0.0307
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0572 0.5684 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.0204 0.0204
Brugia malayi RNA, U transporter 1 0.0099 0.068 0.0881
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0204 0.0359
Onchocerca volvulus 0.0046 0.0122 0.6788
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0572 0.5684 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0051 0.0172 0.0222
Mycobacterium ulcerans hypothetical protein 0.0192 0.1665 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0034 0.0044
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0122 0.0122
Schistosoma mansoni inositol monophosphatase 0.0045 0.0104 0.0134
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Schistosoma mansoni DNA topoisomerase type I 0.0572 0.5684 0.7367
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0122 0.042
Loa Loa (eye worm) hypothetical protein 0.0047 0.0131 0.0169
Echinococcus granulosus geminin 0.0205 0.1798 0.233
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0067 0.0087
Echinococcus multilocularis protein dispatched 1 0.0058 0.0248 0.0248
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) carboxylesterase 0.0274 0.2534 0.3284
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0204 0.0264
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.089 0.1154

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 5.0119 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) 7.3753 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) 7.3753 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 50.1187 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) 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.
 
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.

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