Detailed information for compound 1202543

Basic information

Technical information
  • TDR Targets ID: 1202543
  • Name: N-methyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]p iperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetami de
  • MW: 442.553 | Formula: C27H30N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCN(C1CC(=O)N(CCc1ccccn1)C)Cc1ccc(cc1)c1ccccc1
  • InChi: 1S/C27H30N4O2/c1-30(17-14-24-9-5-6-15-28-24)26(32)19-25-27(33)29-16-18-31(25)20-21-10-12-23(13-11-21)22-7-3-2-4-8-22/h2-13,15,25H,14,16-20H2,1H3,(H,29,33)
  • InChiKey: PUMSRLHTCSLMOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-[2-(2-pyridyl)ethyl]acetamide
  • N-methyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazinyl]-N-[2-(2-pyridyl)ethyl]acetamide
  • 2-[3-keto-1-(4-phenylbenzyl)piperazin-2-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]acetamide
  • N-methyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamide
  • MLS000732299
  • SMR000315583
  • 2-[1-(biphenyl-4-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0259 0.303
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0259 0.1713
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0443 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.2093 0.3968
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0514 0.4188
Brugia malayi Pre-SET motif family protein 0.0229 0.3153 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.1072 0.8777
Schistosoma mansoni ran 0.0026 0.0122 0.0221
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0225 0.0714
Trypanosoma brucei trypanothione reductase 0.0039 0.0324 0.4475
Entamoeba histolytica hypothetical protein 0.0028 0.0161 0.121
Loa Loa (eye worm) hypothetical protein 0.0079 0.0921 0.1746
Loa Loa (eye worm) hypothetical protein 0.0101 0.1242 0.2355
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0507 0.0502
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0574 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0894 0.089
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.1242 0.2347
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0507 0.4815
Trypanosoma brucei PAB1-binding protein , putative 0.0056 0.0574 1
Echinococcus multilocularis tar DNA binding protein 0.0191 0.2587 0.2583
Schistosoma mansoni hypothetical protein 0.0372 0.5274 1
Brugia malayi RNA, U transporter 1 0.0099 0.1214 0.3852
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0894 0.089
Plasmodium vivax glutathione reductase, putative 0.0039 0.0324 0.253
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0443 0.4016
Schistosoma mansoni hypothetical protein 0.0108 0.1348 0.2549
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.1485 0.2809
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0507 0.1386
Loa Loa (eye worm) hypothetical protein 0.0056 0.0574 0.1087
Echinococcus multilocularis GPCR, family 2 0.005 0.0485 0.048
Brugia malayi Importin beta-1 subunit 0.0035 0.0259 0.082
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0225 0.0417
Trichomonas vaginalis ran, putative 0.0026 0.0122 0.0322
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.1072 0.8777
Loa Loa (eye worm) hypothetical protein 0.005 0.0485 0.0919
Schistosoma mansoni lamin 0.0033 0.0225 0.0417
Schistosoma mansoni hypothetical protein 0.005 0.0485 0.091
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0894 0.089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0485 0.048
Plasmodium falciparum glutathione reductase 0.0039 0.0324 0.253
Leishmania major trypanothione reductase 0.0039 0.0324 0.4475
Echinococcus multilocularis musashi 0.0033 0.0225 0.022
Brugia malayi Latrophilin receptor protein 2 0.005 0.0485 0.1537
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0574 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0225 0.0427
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0161 0.0859
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0324 0.2624
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0122 0.0231
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.122 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0921 0.0916
Brugia malayi Thioredoxin reductase 0.0039 0.0324 0.1028
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0324 0.4475
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0507 0.4815
Loa Loa (eye worm) hypothetical protein 0.0033 0.023 0.0436
Loa Loa (eye worm) RNA binding protein 0.0191 0.2587 0.4905
Echinococcus granulosus intermediate filament protein 0.0033 0.0225 0.022
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2587 0.49
Loa Loa (eye worm) hypothetical protein 0.0074 0.0836 0.1586
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0514 0.4188
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0089 0.1072 0.8777
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2587 0.49
Trichomonas vaginalis set domain proteins, putative 0.0261 0.3624 1
Schistosoma mansoni hypothetical protein 0.0025 0.0114 0.0207
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.5274 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0921 0.1738
Echinococcus multilocularis lamin 0.0033 0.0225 0.022
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0114 0.0109
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0514 0.0509
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.122 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0259 0.0254
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0485 0.048
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2587 0.49
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0485 0.048
Brugia malayi hypothetical protein 0.0056 0.0574 0.1819
Loa Loa (eye worm) hypothetical protein 0.0035 0.0259 0.049
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.2587 0.8207
Schistosoma mansoni ran 0.0026 0.0122 0.0221
Plasmodium falciparum thioredoxin reductase 0.0039 0.0324 0.253
Brugia malayi Probable ClpP-like protease 0.0079 0.0921 0.2921
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.1427 0.1423
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0921 0.0916
Schistosoma mansoni transient receptor potential channel 0.0078 0.0894 0.1688
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.3153 0.5977
Plasmodium vivax SET domain protein, putative 0.0033 0.023 0.1351
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.023 0.0225
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2346 0.4443
Loa Loa (eye worm) acetyltransferase 0.0175 0.2346 0.4448
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0259 0.0254
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.1072 0.8777
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.122 1
Schistosoma mansoni hypothetical protein 0.005 0.0485 0.091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.049 0.0921
Schistosoma mansoni hypothetical protein 0.005 0.0485 0.091
Brugia malayi Pre-SET motif family protein 0.0033 0.023 0.0729
Brugia malayi hypothetical protein 0.0036 0.0278 0.0883
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0147 0.0315
Brugia malayi glutathione reductase 0.0039 0.0324 0.1028
Loa Loa (eye worm) glutathione reductase 0.0039 0.0324 0.0614
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0628
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0921 0.7535
Leishmania major hypothetical protein, conserved 0.0056 0.0574 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2273 0.2269
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0212 0.0207
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0507 0.1386
Schistosoma mansoni lamin 0.0033 0.0225 0.0417
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0485 0.1537
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.1485 0.1481
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.023 0.0426
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0332 0.0327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.049 0.0921
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0485 0.048
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.122 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0216 0.041
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.049 0.1555
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0324 0.0614
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.049 0.0485
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0122 0.0117
Echinococcus multilocularis tumor protein p63 0.0689 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.049 0.0485
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.1427 0.1423
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2587 0.49
Plasmodium falciparum importin beta, putative 0.0035 0.0259 0.1713
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0332 0.0327
Loa Loa (eye worm) hypothetical protein 0.0158 0.2093 0.3968
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0225 0.0427
Loa Loa (eye worm) hypothetical protein 0.0108 0.1348 0.2557
Schistosoma mansoni hypothetical protein 0.005 0.0485 0.091
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0485 0.0919
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0147 0.1167
Loa Loa (eye worm) TAR-binding protein 0.0191 0.2587 0.4905
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0507 0.4815
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.049 0.0921
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0514 0.4188
Echinococcus granulosus lamin dm0 0.0033 0.0225 0.022
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0161 0.043
Brugia malayi intermediate filament protein 0.0033 0.0225 0.0714
Plasmodium vivax importin-beta 2, putative 0.0035 0.0259 0.1713
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0161 0.043
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.1485 0.1481
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2346 0.7441
Toxoplasma gondii hypothetical protein 0.0027 0.0147 0.0315
Echinococcus multilocularis lamin dm0 0.0033 0.0225 0.022
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2346 0.2342
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.2093 0.6638
Brugia malayi RNA binding protein 0.0191 0.2587 0.8207
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.049 0.093
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.023 0.0225
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0894 0.089
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0147 0.1549
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0161 0.0859
Schistosoma mansoni importin beta-1 0.0035 0.0259 0.0481
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2587 0.49
Mycobacterium tuberculosis Probable reductase 0.0089 0.1072 0.8777
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0122 0.0117
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.1072 0.8777
Schistosoma mansoni transient receptor potential channel 0.0078 0.0894 0.1688
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0574 0.5654
Onchocerca volvulus 0.0261 0.3624 1
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0324 0.253
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0147 0.0315
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1348 0.4277
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0161 0.043
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.2587 0.4905
Echinococcus granulosus lamin 0.0033 0.0225 0.022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.023 0.0426
Loa Loa (eye worm) hypothetical protein 0.0033 0.0225 0.0427
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.023 0.0225
Echinococcus granulosus GPCR family 2 0.005 0.0485 0.048
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0514 0.0509
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.1072 0.8777
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0921 1
Echinococcus multilocularis snurportin 1 0.0372 0.5274 0.5272
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.023 0.1351
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0389 0.0384
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0259 0.303
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0921 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.023 0.0426
Onchocerca volvulus 0.0033 0.023 0.0014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.049 0.0485
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0114 0.0109
Loa Loa (eye worm) hypothetical protein 0.0117 0.1485 0.2816
Echinococcus granulosus snurportin 1 0.0372 0.5274 0.5272
Echinococcus granulosus tar DNA binding protein 0.0191 0.2587 0.2583
Schistosoma mansoni transient receptor potential channel 0.0117 0.1485 0.2809
Brugia malayi TAR-binding protein 0.0191 0.2587 0.8207
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0443 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.023 0.0426
Onchocerca volvulus 0.0101 0.1242 0.2992
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0122 0.0386
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0574 0.5654
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0921 1
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0574 0.5654
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0574 0.5654
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0921 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0389 0.0738
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0389 0.1235
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0389 0.0384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.049 0.0485
Toxoplasma gondii thioredoxin reductase 0.0039 0.0324 0.253
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.2093 0.6638

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 3.7573 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 11.6891 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) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 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
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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