Detailed information for compound 1290361

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 235.693 | Formula: C10H6ClN3S
  • H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1nc[nH]c(c1n2)S
  • InChi: 1S/C10H6ClN3S/c11-5-1-2-7-6(3-5)8-9(14-7)10(15)13-4-12-8/h1-4,15H,(H,12,13)
  • InChiKey: RDOASWACARRMPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens arginine vasopressin receptor 1B Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0882 0.2942
Brugia malayi M-phase phosphoprotein, mpp8 0.0013 0.0001 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0688 0.2293
Schistosoma mansoni hypothetical protein 0.0019 0.0184 0.0614
Brugia malayi hypothetical protein 0.0013 0.0001 0.0001
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0882 0.2942
Loa Loa (eye worm) hypothetical protein 0.016 0.4365 0.6177
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3 0.3705
Loa Loa (eye worm) hypothetical protein 0.0036 0.0688 0.0972
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0688 0.0687
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0184 0.0261
Schistosoma mansoni hypothetical protein 0.0035 0.0663 0.221
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0688 0.2293
Echinococcus granulosus peregrin 0.0035 0.0663 0.0662
Brugia malayi Pre-SET motif family protein 0.0036 0.0688 0.0973
Schistosoma mansoni chromobox protein 0.0079 0.1948 0.6494
Echinococcus granulosus Chromobox protein 3 0.0013 0.0001 0.000000044742
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3 0.4245
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0925 0.1142
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3036 0.3036
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8095 1
Brugia malayi Heterochromatin protein 1 0.0079 0.1948 0.2757
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0544 0.0671
Loa Loa (eye worm) hypothetical protein 0.0035 0.0663 0.0937
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0184 0.0259
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1403 0.1985
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0882 0.0882
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3 0.4244
Trichomonas vaginalis chromobox protein, putative 0.0047 0.1024 0.1264
Brugia malayi jmjC domain containing protein 0.0043 0.0882 0.1249
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0663 0.9637
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0663 0.0662
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1256 0.1256
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0184 0.0261
Onchocerca volvulus 0.0051 0.1139 0.1406
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0013 0.0001 0.0001
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0663 0.9637
Loa Loa (eye worm) hypothetical protein 0.0041 0.0839 0.1186
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0925 0.1142
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1256 0.1777
Schistosoma mansoni hypothetical protein 0.0019 0.0184 0.0614
Trichomonas vaginalis chromobox protein, putative 0.0079 0.1948 0.2406
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0663 0.0937
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1024 0.1264
Echinococcus multilocularis chromobox protein 1 0.0079 0.1948 0.1947
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0001 0.0001
Echinococcus granulosus muscleblind protein 0.016 0.4365 0.4365
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1403 0.1986
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0925 0.1142
Schistosoma mansoni hypothetical protein 0.0019 0.0184 0.0614
Brugia malayi Valyl-tRNA synthetase 0.0013 0.0001 0.0001
Echinococcus granulosus chromobox protein 1 0.0079 0.1948 0.1947
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0688 0.0687
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0688 0.0687
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1256 0.1256
Schistosoma mansoni hypothetical protein 0.0019 0.0184 0.0614
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1256 0.1256
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0001 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0001 0.000000044742
Onchocerca volvulus 0.0035 0.0643 0.0793
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0001 0.0003
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2334 0.7781
Onchocerca volvulus Alhambra homolog 0.0035 0.0663 0.0818
Giardia lamblia Kinase, PLK 0.0114 0.3 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0649 0.0648
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1256 0.1256
Loa Loa (eye worm) hypothetical protein 0.016 0.4365 0.6177
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0882 0.0882
Plasmodium falciparum phd finger protein, putative 0.0035 0.0663 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3 0.2999
Echinococcus granulosus GPCR family 2 0.0019 0.0184 0.0183
Schistosoma mansoni chromobox protein 0.0013 0.0001 0.0003
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0663 0.9637
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0049 0.1069 0.3564
Onchocerca volvulus 0.0049 0.1069 0.132
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1256 0.1778
Loa Loa (eye worm) heterochromatin protein 1 0.0079 0.1948 0.2756
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0688 0.2293
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0544 0.0671
Brugia malayi SET domain containing protein 0.0014 0.004 0.0057
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1403 0.1986
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1256 0.4189
Echinococcus multilocularis muscleblind protein 0.016 0.4365 0.4365
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3 0.2999
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3 0.5
Trichomonas vaginalis chromobox protein, putative 0.0047 0.1024 0.1264
Brugia malayi Pre-SET motif family protein 0.0251 0.7066 1
Echinococcus granulosus chromobox protein 1 0.0079 0.1948 0.1947
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1774 0.2509
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1256 0.4189
Brugia malayi Bromodomain containing protein 0.0035 0.0663 0.0938
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1293 0.1596
Onchocerca volvulus 0.0013 0.0001 0.000000055271
Schistosoma mansoni hypothetical protein 0.0013 0.0001 0.0003
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0882 0.1248
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1071 0.1071
Onchocerca volvulus 0.0286 0.8095 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0184 0.0183
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0001 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1256 0.4189
Echinococcus multilocularis muscleblind protein 1 0.016 0.4365 0.4365
Loa Loa (eye worm) hypothetical protein 0.0035 0.0643 0.0909
Trichomonas vaginalis chromobox protein, putative 0.0079 0.1948 0.2406
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3 1
Brugia malayi CHD4 protein 0.0013 0.0001 0.0001
Brugia malayi PHD-finger family protein 0.0035 0.0663 0.0938
Loa Loa (eye worm) hypothetical protein 0.0051 0.1139 0.1611
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0001 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1293 0.1596
Schistosoma mansoni chromobox protein 0.0079 0.1948 0.6494
Brugia malayi jmjC domain containing protein 0.0115 0.3036 0.4297
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0663 0.221
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Loa Loa (eye worm) hypothetical protein 0.006 0.1403 0.1985
Echinococcus multilocularis chromobox protein 1 0.0079 0.1948 0.1947
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0688 1
Schistosoma mansoni kinase 0.0058 0.1337 0.4459
Echinococcus multilocularis peregrin 0.0035 0.0663 0.0662
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0184 0.0183
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0184 0.0183
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7066 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.3 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0184 0.0183
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3036 0.3036
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Loa Loa (eye worm) hypothetical protein 0.0019 0.0184 0.0259
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.1139 0.3798
Loa Loa (eye worm) hypothetical protein 0.006 0.1408 0.1992
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0184 0.0183
Loa Loa (eye worm) hypothetical protein 0.0044 0.0925 0.1308
Brugia malayi Muscleblind-like protein 0.016 0.4365 0.6177
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1071 0.1071
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0688 1
Brugia malayi Protein cec-1. 0.0013 0.0001 0.0001
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0839 0.2797
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3 0.3705
Schistosoma mansoni chromobox protein 0.0013 0.0001 0.0003
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0663 0.0662
Brugia malayi chromobox protein homolog 3 0.0044 0.0925 0.1309
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0839 0.1187

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2239 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) 1.4125 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) 1.5003 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5477 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: THP1 Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.7458 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP1 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489043, AID492948] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.8785 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP2 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 4.8827 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: V1B Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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