Detailed information for compound 1291175

Basic information

Technical information
  • TDR Targets ID: 1291175
  • Name: N,2-bis(4-methoxyphenyl)-2-[(2-thiophen-2-yla cetyl)amino]acetamide
  • MW: 410.486 | Formula: C22H22N2O4S
  • H donors: 2 H acceptors: 2 LogP: 3.39 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)C(c1ccc(cc1)OC)NC(=O)Cc1cccs1
  • InChi: 1S/C22H22N2O4S/c1-27-17-9-5-15(6-10-17)21(24-20(25)14-19-4-3-13-29-19)22(26)23-16-7-11-18(28-2)12-8-16/h3-13,21H,14H2,1-2H3,(H,23,26)(H,24,25)
  • InChiKey: GBHJFOBQBDRBGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,2-bis(4-methoxyphenyl)-2-[[2-(2-thienyl)acetyl]amino]acetamide
  • N,2-bis(4-methoxyphenyl)-2-[[1-oxo-2-(2-thienyl)ethyl]amino]acetamide
  • N,2-bis(4-methoxyphenyl)-2-(2-thiophen-2-ylethanoylamino)ethanamide
  • STK149225
  • C094-0334
  • NCGC00104032-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.0726 0.2309
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.0726 0.2309
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0255 0.1819 0.7036
Onchocerca volvulus Matrilysin homolog 0.0315 0.2316 0.348
Schistosoma mansoni hypothetical protein 0.0407 0.3066 0.4614
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0207 0.3392
Mycobacterium leprae PROBABLE HYDROLASE 0.0384 0.2881 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0325 0.0876
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0355 0.1124
Loa Loa (eye worm) hypothetical protein 0.0102 0.056 0.0818
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0217 0.0317
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0325 0.6521
Trypanosoma brucei trypanothione reductase 0.0054 0.0162 0.2202
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0344 0.2553 0.3677
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0046 0.0099 0.002
Echinococcus granulosus snurportin 1 0.0666 0.52 0.5162
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0325 0.0876
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0338 0.2502 0.9792
Onchocerca volvulus Matrilysin homolog 0.0843 0.6655 1
Leishmania major cathepsin L-like protease 0.0065 0.0253 0.4617
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Schistosoma mansoni ran 0.0046 0.0099 0.006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Onchocerca volvulus 0.0089 0.0456 0.0685
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0344 0.2553 1
Loa Loa (eye worm) matrixin family protein 0.0866 0.684 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0235 0.0343
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0325 0.1411
Entamoeba histolytica hypothetical protein 0.0051 0.0138 0.0157
Loa Loa (eye worm) hypothetical protein 0.0043 0.0079 0.0116
Loa Loa (eye worm) hypothetical protein 0.0041 0.006 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0351 0.0446
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0344 0.2553 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.0162 0.0335
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0325 0.0247
Loa Loa (eye worm) matrix metalloproteinase 0.0315 0.2316 0.3386
Plasmodium falciparum importin beta, putative 0.0062 0.0235 0.0552
Brugia malayi MH2 domain containing protein 0.0132 0.0807 0.1102
Echinococcus multilocularis tumor protein p63 0.0408 0.3078 0.3022
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0089 0.0456 0.0379
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0136 0.0838 0.271
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0099 0.0535
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.0112
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0046 0.0099 0.0145
Brugia malayi Thioredoxin reductase 0.0054 0.0162 0.015
Brugia malayi chromobox protein homolog 3 0.0043 0.0077 0.0025
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0089 0.0456 1
Onchocerca volvulus 0.0043 0.0079 0.0119
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0136 0.0838 0.271
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0344 0.2553 0.3826
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0344 0.2553 0.2493
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0325 0.0876
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0199 0.0429
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0213 0.0234
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0351 0.0513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0079 0.0028
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0162 0.0296
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0351 0.0429
Brugia malayi follicle stimulating hormone receptor 0.0235 0.1651 0.2346
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6575 0.6548
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0165 0.108 0.357
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0162 0.0084
Brugia malayi beta-lactamase 0.0043 0.0079 0.0028
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0351 0.0274
Entamoeba histolytica hypothetical protein 0.0083 0.0401 0.1229
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0138 0.0119
Loa Loa (eye worm) hypothetical protein 0.0344 0.2553 0.3732
Giardia lamblia Fructose-bisphosphate aldolase 0.0338 0.2502 0.9792
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0253 0.4617
Toxoplasma gondii hypothetical protein 0.0089 0.0456 0.2164
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0136 0.0838 0.271
Leishmania major cathepsin L-like protease 0.0065 0.0253 0.4617
Loa Loa (eye worm) hypothetical protein 0.0043 0.0079 0.0116
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.0253 0.4617
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0089 0.0456 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0079 0.001
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0325 0.0406
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.0807 0.118
Leishmania major cathepsin L-like protease 0.0065 0.0253 0.4617
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0104 0.0109
Echinococcus granulosus GTP binding nuclear protein Ran 0.0046 0.0099 0.002
Brugia malayi RNA, U transporter 1 0.0177 0.1181 0.1653
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0138 0.0059
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0162 0.0335
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0199 0.0214
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0459 0.3495 0.5273
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0344 0.2553 1
Echinococcus granulosus chromobox protein 1 0.0077 0.0355 0.0278
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0253 0.4617
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0104 0.0156
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0046 0.0099 0.0535
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0199 0.0429
Brugia malayi Hemopexin family protein 0.0407 0.3066 0.4434
Echinococcus multilocularis chromobox protein 1 0.0077 0.0355 0.0278
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0079 0.001
Onchocerca volvulus 0.0043 0.0079 0.0119
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0355 0.1124
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0456 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Brugia malayi hypothetical protein 0.0102 0.056 0.0737
Brugia malayi Importin beta-1 subunit 0.0062 0.0235 0.0258
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0138 0.0247
Loa Loa (eye worm) beta-lactamase 0.0043 0.0079 0.0116
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0325 0.0406
Treponema pallidum fructose-bisphosphate aldolase 0.0338 0.2502 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0167 0.0245
Echinococcus multilocularis importin subunit beta 1 0.0062 0.0235 0.0157
Plasmodium vivax importin-beta 2, putative 0.0062 0.0235 0.0629
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0089 0.0456 0.0379
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0138 0.0247
Schistosoma mansoni hypothetical protein 0.0389 0.2921 0.4391
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0079 0.001
Schistosoma mansoni importin beta-1 0.0062 0.0235 0.0268
Loa Loa (eye worm) hypothetical protein 0.0043 0.0079 0.0116
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0344 0.2553 0.3732
Leishmania major trypanothione reductase 0.0054 0.0162 0.2202
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0666 0.52 0.7603
Brugia malayi Matrixin family protein 0.0315 0.2316 0.3327
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0089 0.0456 0.153
Loa Loa (eye worm) hypothetical protein 0.0043 0.0079 0.0116
Schistosoma mansoni chromobox protein 0.0077 0.0355 0.0453
Brugia malayi hypothetical protein 0.0083 0.0401 0.0503
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0079 0.001
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0199 0.0121
Brugia malayi Matrixin family protein 0.0315 0.2316 0.3327
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0138 0.0059
Brugia malayi glutathione reductase 0.0054 0.0162 0.015
Trypanosoma brucei importin beta-1 subunit, putative 0.0062 0.0235 0.4134
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0079 0.001
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0344 0.2553 1
Brugia malayi Matrixin family protein 0.0315 0.2316 0.3327
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0138 0.0114
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0162 0.2202
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.0726 0.2309
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0077 0.0115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0138 0.0119
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0083 0.0401 0.0324
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0351 0.0446
Brugia malayi Matrixin family protein 0.0315 0.2316 0.3327
Brugia malayi Matrixin family protein 0.0866 0.684 1
Echinococcus multilocularis geminin 0.0389 0.2921 0.2864
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0253 0.4617
Schistosoma mansoni eyes absent homolog 0.0102 0.056 0.0767
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0138 0.0201
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0079 0.0029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0199 0.0121
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0456 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6575 0.6548
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0217 0.0231
Onchocerca volvulus 0.0043 0.0079 0.0119
Onchocerca volvulus 0.0315 0.2316 0.348
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0325 0.0876
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0138 0.0247
Entamoeba histolytica hypothetical protein 0.0083 0.0401 0.1229
Schistosoma mansoni transcription factor LCR-F1 0.0083 0.0401 0.0523
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0351 0.0513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0351 0.0446
Echinococcus granulosus importin subunit beta 1 0.0062 0.0235 0.0157
Loa Loa (eye worm) glutathione reductase 0.0054 0.0162 0.0237
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0199 0.0206
Brugia malayi TAR-binding protein 0.0076 0.0351 0.0429
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0079 0.0029
Toxoplasma gondii thioredoxin reductase 0.0054 0.0162 0.0476
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0325 0.0247
Onchocerca volvulus 0.0407 0.3066 0.4608
Giardia lamblia Rab geranylgeranyltransferase 0.0344 0.2553 1
Entamoeba histolytica hypothetical protein 0.0083 0.0401 0.1229
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0351 0.0446
Onchocerca volvulus 0.006 0.0213 0.032
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0089 0.0456 0.0379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0162 0.0084
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0046 0.0099 0.0081
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0139 0.1596
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0089 0.0456 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0344 0.2553 0.2493
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0384 0.2881 1
Brugia malayi beta-lactamase family protein 0.0043 0.0079 0.0028
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0122 0.0726 0.2309
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0162 0.0237
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0046 0.0099 0.0058
Echinococcus granulosus tar DNA binding protein 0.0076 0.0351 0.0274
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0089 0.0456 1
Toxoplasma gondii hypothetical protein 0.0255 0.1819 1
Trichomonas vaginalis esterase, putative 0.0043 0.0079 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0089 0.0456 1
Echinococcus granulosus chromobox protein 1 0.0077 0.0355 0.0278
Loa Loa (eye worm) hypothetical protein 0.0102 0.056 0.0818
Mycobacterium tuberculosis Probable reductase 0.0122 0.0726 0.2309
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0344 0.2553 1
Plasmodium falciparum thioredoxin reductase 0.0054 0.0162 0.0256
Loa Loa (eye worm) hypothetical protein 0.0459 0.3495 0.511
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0082 0.04 0.0521
Loa Loa (eye worm) hypothetical protein 0.006 0.0217 0.0317
Loa Loa (eye worm) matrixin family protein 0.07 0.5476 0.8005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0089 0.0456 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0138 0.1556
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0165 0.108 0.357
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0344 0.2553 1
Echinococcus granulosus geminin 0.0389 0.2921 0.2864
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0217 0.0231
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0089 0.0456 0.0379
Plasmodium falciparum glutathione reductase 0.0054 0.0162 0.0256
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0338 0.2502 0.9792
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0199 0.0429
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0165 0.108 0.357
Echinococcus multilocularis chromobox protein 1 0.0077 0.0355 0.0278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0138 0.0059
Mycobacterium ulcerans hydrolase 0.0384 0.2881 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0079 0.0116
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Trypanosoma brucei importin beta-1 subunit, putative 0.0062 0.0235 0.4134
Schistosoma mansoni chromobox protein 0.0077 0.0355 0.0453
Schistosoma mansoni hypothetical protein 0.0666 0.52 0.789
Mycobacterium tuberculosis Probable oxidoreductase 0.0136 0.0838 0.271
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0089 0.0456 0.1452
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0089 0.0456 0.1452
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0351 0.0446
Trypanosoma brucei hypothetical protein, conserved 0.0089 0.0456 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0099 0.0535
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.1651 0.2414
Loa Loa (eye worm) hypothetical protein 0.0315 0.2316 0.3386
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0089 0.0456 0.0666
Echinococcus multilocularis snurportin 1 0.0666 0.52 0.5162
Onchocerca volvulus Matrix metalloproteinase homolog 0.07 0.5476 0.8228
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0083 0.0401 0.0324
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Loa Loa (eye worm) hypothetical protein 0.0315 0.2316 0.3386
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0046 0.0099 0.0116
Toxoplasma gondii HEAT repeat-containing protein 0.0062 0.0235 0.0895
Giardia lamblia Rab geranylgeranyltransferase 0.0089 0.0456 0.1452
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0138 0.0059
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0355 0.0519
Loa Loa (eye worm) RNA binding protein 0.0076 0.0351 0.0513
Leishmania major importin beta-1 subunit, putative 0.0051 0.0138 0.1556
Schistosoma mansoni ran 0.0046 0.0099 0.006
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0089 0.0456 1
Trichomonas vaginalis ran, putative 0.0046 0.0099 0.0091
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.0726 0.2309
Schistosoma mansoni hypothetical protein 0.0389 0.2921 0.4391
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.0807 0.118
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.2502 0.9794
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0199 0.3195
Brugia malayi RNA binding protein 0.0076 0.0351 0.0429
Echinococcus granulosus tumor protein p63 0.0408 0.3078 0.3022
Loa Loa (eye worm) hypothetical protein 0.0384 0.2881 0.4213
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0384 0.2881 0.4161
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0089 0.0456 0.0583
Loa Loa (eye worm) hypothetical protein 0.006 0.0213 0.0311
Loa Loa (eye worm) hypothetical protein 0.0043 0.0079 0.0116
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0104 0.0109
Brugia malayi beta-lactamase family protein 0.0043 0.0079 0.0028
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0253 0.4617
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6575 1
Entamoeba histolytica hypothetical protein 0.0083 0.0401 0.1229
Loa Loa (eye worm) hypothetical protein 0.0043 0.0079 0.0116
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0089 0.0456 0.0607
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.0726 0.2309
Brugia malayi Heterochromatin protein 1 0.0077 0.0355 0.0435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0138 0.0119
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0089 0.0456 0.1522
Leishmania major GTP-binding protein, putative 0.0046 0.0099 0.0535
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2006 0.6877
Schistosoma mansoni hypothetical protein 0.0083 0.0401 0.0523

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0398 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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