Detailed information for compound 1291765

Basic information

Technical information
  • TDR Targets ID: 1291765
  • Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-met hyl-1H-indol-3-yl)ethanone
  • MW: 367.872 | Formula: C21H22ClN3O
  • H donors: 1 H acceptors: 1 LogP: 4.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cccc2
  • InChi: 1S/C21H22ClN3O/c1-15-21(18-4-2-3-5-19(18)23-15)20(26)14-24-10-12-25(13-11-24)17-8-6-16(22)7-9-17/h2-9,23H,10-14H2,1H3
  • InChiKey: LMVWNSRVMJFCAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-(4-chlorophenyl)-1-piperazinyl]-1-(2-methyl-1H-indol-3-yl)ethanone
  • STK250065

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1929 0.828
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0055 0.095 0.3427
Trypanosoma brucei calpain-like protein, putative 0.0041 0.058 0.1596
Echinococcus granulosus calpain A 0.0113 0.2477 0.4033
Echinococcus multilocularis GPCR, family 2 0.0127 0.2829 0.4609
Schistosoma mansoni smad 0.0026 0.0189 0.0267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.184 0.2743
Loa Loa (eye worm) calpain family protein 1 0.008 0.1599 0.1567
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.2276 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0039 0.0528 0.0528
Leishmania major hypothetical protein, conserved 0.0029 0.0269 0.0054
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.2276 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0189 0.0267
Loa Loa (eye worm) hypothetical protein 0.008 0.1599 0.1567
Loa Loa (eye worm) hypothetical protein 0.0039 0.0528 0.0491
Trichomonas vaginalis ap endonuclease, putative 0.0055 0.095 0.3432
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0189 0.0292
Echinococcus multilocularis calpain family protein 1, d 0.008 0.1599 0.2598
Schistosoma mansoni calpain C (C02 family) 0.0041 0.058 0.0853
Echinococcus multilocularis hypothetical protein 0.0041 0.058 0.0931
Toxoplasma gondii exonuclease III APE 0.0055 0.095 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.1929 0.3137
Loa Loa (eye worm) hypothetical protein 0.0039 0.0528 0.0491
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.2276 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.0041 0.058 0.0853
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0041 0.058 0.1596
Schistosoma mansoni ap endonuclease 0.0055 0.095 0.1407
Schistosoma mansoni hypothetical protein 0.0127 0.2829 0.4225
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.184 0.2992
Brugia malayi latrophilin 2 splice variant baaae 0.0273 0.6681 0.6681
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.2276 1
Brugia malayi hypothetical protein 0.0029 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0039 0.0528 0.0491
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Echinococcus granulosus Tolloid protein 1 0.0039 0.0528 0.0845
Brugia malayi calpain family protein 1 0.0108 0.2348 0.2348
Brugia malayi phosphofructokinase 0.0105 0.2276 0.2276
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0189 0.0152
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.184 0.184
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Giardia lamblia Kinase, PLK 0.0092 0.1929 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0189 0.0267
Brugia malayi calpain family protein 1 0.0108 0.2348 0.2348
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.2276 0.3704
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.184 0.1809
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0087 0.0114
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.1929 0.1929
Loa Loa (eye worm) RNA binding protein 0.0252 0.6125 0.611
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0189 0.0292
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0108 0.2348 0.3504
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0369 0.9191 1
Onchocerca volvulus 0.0067 0.1277 0.0865
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6125 0.9166
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0055 0.095 0.3432
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.1929 0.8281
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Entamoeba histolytica calpain large subunit domain III containing protein 0.0029 0.0258 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6125 0.9166
Loa Loa (eye worm) calpain 0.0041 0.058 0.0544
Brugia malayi 6-phosphofructokinase 0.0105 0.2276 0.2276
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0257 0.5
Echinococcus multilocularis calpain A 0.0113 0.2477 0.4033
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.2276 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.1929 0.3137
Loa Loa (eye worm) hypothetical protein 0.0273 0.6681 0.6668
Schistosoma mansoni egf-like domain protein 0.0039 0.0528 0.0775
Echinococcus granulosus calpain 7 C02 family 0.0041 0.058 0.0931
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0127 0.2829 0.4609
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0127 0.2829 0.4609
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0189 0.0292
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.058 0.1596
Brugia malayi MH2 domain containing protein 0.0026 0.0189 0.0189
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.2276 1
Brugia malayi MH2 domain containing protein 0.0026 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0029 0.0269 0.0232
Brugia malayi MH1 domain containing protein 0.0026 0.0189 0.0189
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0055 0.095 0.0915
Loa Loa (eye worm) calpain family protein 1 0.0108 0.2348 0.2319
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0039 0.0528 0.0491
Echinococcus granulosus calpain 0.0041 0.058 0.0931
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0269 0.0054
Loa Loa (eye worm) hypothetical protein 0.0108 0.2348 0.2319
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.058 0.1596
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.2276 1
Echinococcus multilocularis calpain 7 (C02 family) 0.0041 0.058 0.0931
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6125 0.9166
Toxoplasma gondii calcium binding egf domain-containing protein 0.0039 0.0528 0.3909
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.184 0.2992
Plasmodium vivax calpain, putative 0.0041 0.058 0.4669
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0257 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0252 0.6125 0.6125
Schistosoma mansoni hypothetical protein 0.002 0.0038 0.0041
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1929 0.828
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.2276 1
Echinococcus granulosus tar DNA binding protein 0.0252 0.6125 1
Schistosoma mansoni hypothetical protein 0.0273 0.6681 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0269 0.0181
Echinococcus granulosus smad 0.0026 0.0189 0.0292
Loa Loa (eye worm) transcription factor SMAD2 0.0381 0.949 0.9488
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.2276 0.3396
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.2276 0.3704
Trypanosoma brucei polo-like protein kinase 0.0092 0.1929 0.828
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0269 0.0181
Schistosoma mansoni calpain-7 (C02 family) 0.0041 0.058 0.0853
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0707 0.223
Brugia malayi exodeoxyribonuclease III family protein 0.0055 0.095 0.095
Loa Loa (eye worm) hypothetical protein 0.0067 0.1277 0.1244
Loa Loa (eye worm) phosphofructokinase 0.0105 0.2276 0.2246
Echinococcus multilocularis Smad4 0.0026 0.0189 0.0292
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0039 0.0528 0.0491
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0055 0.095 0.1535
Trypanosoma brucei calpain-like protein, putative 0.0041 0.058 0.1596
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0055 0.095 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0055 0.095 0.3427
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0269 0.0054
Loa Loa (eye worm) MH2 domain-containing protein 0.0381 0.949 0.9488
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0113 0.2477 0.4033
Echinococcus multilocularis smad 0.0026 0.0189 0.0292
Brugia malayi RNA binding protein 0.0252 0.6125 0.6125
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.058 0.1596
Brugia malayi Latrophilin receptor protein 2 0.0127 0.2829 0.2829
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0707 0.223
Echinococcus multilocularis laminin 0.0039 0.0528 0.0845
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0113 0.2477 0.4033
Schistosoma mansoni smad1 5 8 and 0.0026 0.0189 0.0267
Treponema pallidum exodeoxyribonuclease (exoA) 0.0055 0.095 0.3432
Schistosoma mansoni bromodomain containing protein 0.0062 0.1131 0.1679
Echinococcus multilocularis tar DNA binding protein 0.0252 0.6125 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.043 0.0686
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0189 0.0292
Loa Loa (eye worm) Smad1 0.0026 0.0189 0.0152
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1039 0.1682
Schistosoma mansoni ap endonuclease 0.0055 0.095 0.1407
Loa Loa (eye worm) hypothetical protein 0.004 0.0553 0.0517
Schistosoma mansoni calpain (C02 family) 0.0041 0.058 0.0853
Brugia malayi calpain 5 0.0029 0.0258 0.0258
Trypanosoma brucei antigen, putative 0.0041 0.058 0.1596
Echinococcus multilocularis calpain 0.0041 0.058 0.0931
Loa Loa (eye worm) hypothetical protein 0.0042 0.0602 0.0566
Brugia malayi 6-phosphofructokinase 0.0105 0.2276 0.2276
Loa Loa (eye worm) hypothetical protein 0.0096 0.2026 0.1996
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0269 0.0181
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.2276 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.2276 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0189 0.0267
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.1929 0.1617
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0039 0.0528 0.0491
Schistosoma mansoni hypothetical protein 0.0127 0.2829 0.4225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.184 0.2743
Echinococcus multilocularis Tolloid protein 1 0.0039 0.0528 0.0845
Brugia malayi PHD-finger family protein 0.0024 0.0148 0.0148
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0055 0.095 1
Echinococcus granulosus GPCR family 2 0.0127 0.2829 0.4609
Brugia malayi Calcium binding EGF domain containing protein 0.0039 0.0528 0.0528
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0113 0.2477 0.3697
Loa Loa (eye worm) hypothetical protein 0.0039 0.0528 0.0491
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0252 0.6125 0.611
Brugia malayi calpain 7 0.0041 0.058 0.058
Echinococcus granulosus laminin 0.0039 0.0528 0.0845
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Echinococcus multilocularis fibrillin 1 0.0039 0.0528 0.0845
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.184 0.2992
Brugia malayi Bromodomain containing protein 0.0073 0.1431 0.1431
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.2276 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.2276 1
Schistosoma mansoni kinase 0.0047 0.0739 0.1091
Brugia malayi MH2 domain containing protein 0.0381 0.949 0.949
Brugia malayi Fibulin-1 precursor 0.0039 0.0528 0.0528
Loa Loa (eye worm) hypothetical protein 0.0039 0.0528 0.0491
Echinococcus granulosus calpain A 0.0041 0.058 0.0931
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.2276 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1039 0.1682
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0189 0.0152
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0087 0.0124
Loa Loa (eye worm) calpain 5 0.0029 0.0258 0.0221
Loa Loa (eye worm) hypothetical protein 0.0127 0.2829 0.2801
Brugia malayi N-terminal motif family protein 0.0369 0.9191 0.9191
Brugia malayi TAR-binding protein 0.0252 0.6125 0.6125
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0113 0.2477 0.3697
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6125 0.9166
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0127 0.2829 0.2829
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0269 0.0054
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0055 0.095 0.1535
Trypanosoma brucei calpain-like protein, putative 0.0041 0.058 0.1596
Echinococcus granulosus Smad4 0.0026 0.0189 0.0292
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.2276 0.2246
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.1929 0.828
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.2276 0.2246
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0055 0.095 0.3427
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0055 0.095 0.3427
Schistosoma mansoni calpain-7 (C02 family) 0.0041 0.058 0.0853
Trichomonas vaginalis ap endonuclease, putative 0.0055 0.095 0.3432
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0055 0.095 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0127 0.2829 0.4609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.184 0.2992
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0055 0.095 0.4144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.184 0.2743
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.058 0.1596
Toxoplasma gondii calcium binding egf domain-containing protein 0.0039 0.0528 0.3909
Trypanosoma brucei calpain-like protein, putative 0.0041 0.058 0.1596
Echinococcus granulosus calpain 5 0.0041 0.058 0.0931
Brugia malayi Bromodomain containing protein 0.0037 0.0491 0.0491
Schistosoma mansoni hypothetical protein 0.0127 0.2829 0.4225
Entamoeba histolytica protein kinase, putative 0.0029 0.0266 0.0047
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0127 0.2829 0.4609
Schistosoma mansoni hypothetical protein 0.0127 0.2829 0.4225
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0041 0.058 0.1596
Brugia malayi MH1 domain containing protein 0.0026 0.0189 0.0189
Loa Loa (eye worm) latrophilin receptor protein 2 0.0127 0.2829 0.2801
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6125 0.9166
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0087 0.0124
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0041 0.058 0.1596
Loa Loa (eye worm) hypothetical protein 0.0069 0.1322 0.1288
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1929 0.2875
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.043 0.0686
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0039 0.0528 0.0775
Loa Loa (eye worm) TAR-binding protein 0.0252 0.6125 0.611
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.058 0.1596
Schistosoma mansoni Smad4 0.0026 0.0189 0.0267
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.2276 0.3396
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.2276 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0269 0.0181
Brugia malayi Smad1 0.0026 0.0189 0.0189
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1929 0.8281
Loa Loa (eye worm) hypothetical protein 0.0369 0.9191 0.9188
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.1929 0.1898
Echinococcus multilocularis calpain 5 0.0041 0.058 0.0931
Loa Loa (eye worm) hypothetical protein 0.0037 0.0493 0.0456

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 14.7157 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) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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.
 
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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