Detailed information for compound 176724

Basic information

Technical information
  • TDR Targets ID: 176724
  • Name: N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-( 2-nitropropan-2-yl)benzenesulfonamide
  • MW: 374.413 | Formula: C14H22N4O6S
  • H donors: 0 H acceptors: 6 LogP: 1.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C([N+](=O)[O-])(C)C)C)C
  • InChi: 1S/C14H22N4O6S/c1-14(2,18(21)22)12-7-6-11(10-13(12)17(19)20)25(23,24)16(5)9-8-15(3)4/h6-7,10H,8-9H2,1-5H3
  • InChiKey: MTRGYDWWBARAKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-dimethylaminoethyl)-N-methyl-4-(1-methyl-1-nitro-ethyl)-3-nitro-benzenesulfonamide
  • N-(2-dimethylaminoethyl)-N-methyl-4-(1-methyl-1-nitroethyl)-3-nitrobenzenesulfonamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0084 0.0253 0.0392
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.085 0.4634 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.085 0.4634 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0264 0.1285 0.2773
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Brugia malayi Nuclear hormone receptor family member nhr-25 0.085 0.4634 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.085 0.4634 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0119 0.0452 0.6418
Brugia malayi hypothetical protein 0.0401 0.2067 0.4461
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0392 0.2017 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.085 0.4634 1
Echinococcus granulosus peregrin 0.0063 0.0133 0.0129
Plasmodium falciparum thioredoxin reductase 0.0155 0.0659 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.085 0.4634 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.085 0.4634 0.459
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.022 0.0139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0264 0.1285 0.256
Echinococcus multilocularis ecdysone induced protein 78C 0.085 0.4634 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.085 0.4634 0.459
Schistosoma mansoni zinc finger protein 0.0401 0.2067 0.2002
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0401 0.2067 0.4371
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0449 0.2342 0.4908
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.0208 0.0128
Schistosoma mansoni retinoic acid receptor RXR 0.085 0.4634 0.459
Schistosoma mansoni hypothetical protein 0.0084 0.0253 0.0173
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0353 0.1792 0.8842
Brugia malayi Thioredoxin reductase 0.0155 0.0659 0.1423
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0133 0.0887
Toxoplasma gondii PHD-finger domain-containing protein 0.0063 0.0133 0.0887
Echinococcus multilocularis lysine specific demethylase 5A 0.0076 0.0208 0.0294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.085 0.4634 1
Trypanosoma cruzi cruzipain precursor, putative 0.013 0.0517 0.7532
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 1
Brugia malayi ecdysteroid receptor 0.085 0.4634 1
Brugia malayi glutathione reductase 0.0155 0.0659 0.1423
Brugia malayi Calcitonin receptor-like protein seb-1 0.0264 0.1285 0.2773
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0054 0.0081 0.0016
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.0231 0.0809
Schistosoma mansoni RAR-like nuclear receptor 0.085 0.4634 0.459
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0401 0.2067 0.4371
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.0231 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-41 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 0.2592
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0401 0.2067 0.4297
Brugia malayi Nuclear hormone receptor-like 1 0.0449 0.2342 0.5054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.085 0.4634 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0392 0.2017 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0401 0.2067 0.4371
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 1
Echinococcus granulosus jumonji domain containing protein 0.0087 0.0273 0.0436
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.085 0.4634 1
Schistosoma mansoni hypothetical protein 0.0078 0.022 0.0139
Brugia malayi orphan nuclear receptor NR2E1 0.0401 0.2067 0.4461
Brugia malayi nuclear receptor NHR-88 0.0401 0.2067 0.4461
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.085 0.4634 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0084 0.0253 0.0392
Brugia malayi Probable ClpP-like protease 0.008 0.0231 0.0499
Trichomonas vaginalis mercuric reductase, putative 0.0054 0.0081 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0063 0.0133 0.0129
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0353 0.1792 0.8842
Brugia malayi Nuclear hormone receptor E75 0.0401 0.2067 0.4461
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.085 0.4634 1
Leishmania major cathepsin L-like protease 0.013 0.0517 0.7532
Echinococcus granulosus Nuclear hormone receptor HR96 0.0401 0.2067 0.4371
Brugia malayi steroid hormone receptor 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Echinococcus granulosus FTZ F1 alpha 0.085 0.4634 1
Schistosoma mansoni thyroid hormone receptor 0.085 0.4634 0.459
Onchocerca volvulus 0.0401 0.2067 0.4297
Loa Loa (eye worm) hypothetical protein 0.0107 0.0388 0.0568
Brugia malayi Latrophilin receptor protein 2 0.0084 0.0253 0.0545
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.085 0.4634 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.085 0.4634 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0129 0.0514 0.0846
Schistosoma mansoni nuclear receptor 0.0401 0.2067 0.2002
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0517 0.7532
Brugia malayi nuclear receptor RXR 0.0449 0.2342 0.5054
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.0231 0.0345
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.085 0.4634 0.459
Brugia malayi nuclear hormone receptor family member nhr-6 0.0401 0.2067 0.4461
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0084 0.0253 0.0392
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0401 0.2067 0.4297
Echinococcus granulosus nuclear receptor nhr 48 0.0401 0.2067 0.4371
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0401 0.2067 0.4371
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0084 0.0253 0.0392
Loa Loa (eye worm) hypothetical protein 0.0449 0.2342 0.4908
Echinococcus granulosus Nuclear hormone receptor HR96 0.0401 0.2067 0.4371
Echinococcus granulosus lysine specific demethylase 5A 0.0076 0.0208 0.0294
Brugia malayi nuclear receptor NHR-67 0.0401 0.2067 0.4461
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0449 0.2342 0.2279
Onchocerca volvulus Protein ultraspiracle homolog 0.085 0.4634 1
Trypanosoma brucei trypanothione reductase 0.0155 0.0659 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.085 0.4634 1
Entamoeba histolytica hypothetical protein 0.0078 0.022 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0231 0.2592
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0449 0.2342 0.2279
Onchocerca volvulus 0.0401 0.2067 0.4297
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.085 0.4634 0.459
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.085 0.4634 0.459
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.0231 0.0345
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Giardia lamblia PHD finger protein 15 0.0063 0.0133 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0054 0.0081 0.0176
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0517 0.7532
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0401 0.2067 0.4297
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0353 0.1792 0.8842
Mycobacterium tuberculosis Probable dehydrogenase 0.0353 0.1792 0.8842
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Schistosoma mansoni nuclear receptor 0.0401 0.2067 0.2002
Brugia malayi MH2 domain containing protein 0.0133 0.0535 0.1155
Loa Loa (eye worm) hypothetical protein 0.0449 0.2342 0.4908
Loa Loa (eye worm) nuclear receptor NHR-67 0.0401 0.2067 0.4297
Brugia malayi Nuclear hormone receptor family member nhr-49 0.085 0.4634 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.085 0.4634 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Schistosoma mansoni hypothetical protein 0.0084 0.0253 0.0173
Loa Loa (eye worm) steroid hormone receptor 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Brugia malayi tailless protein 0.0401 0.2067 0.4461
Brugia malayi nuclear hormone receptor family member odr-7 0.0401 0.2067 0.4461
Brugia malayi hypothetical protein 0.0449 0.2342 0.5054
Brugia malayi hypothetical protein 0.0449 0.2342 0.5054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.085 0.4634 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0054 0.0081 0.0016
Loa Loa (eye worm) hypothetical protein 0.0181 0.0807 0.1499
Plasmodium falciparum glutathione reductase 0.0155 0.0659 1
Trypanosoma cruzi trypanothione reductase, putative 0.0155 0.0659 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0155 0.0659 0.3012
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Toxoplasma gondii thioredoxin reductase 0.0155 0.0659 1
Brugia malayi hypothetical protein 0.0401 0.2067 0.4461
Brugia malayi Nuclear hormone receptor family member nhr-19 0.085 0.4634 1
Loa Loa (eye worm) glutathione reductase 0.0155 0.0659 0.117
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0449 0.2342 0.4973
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0205 0.0947 0.1914
Brugia malayi Nuclear hormone receptor family member nhr-3 0.085 0.4634 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.1285 0.256
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0231 0.2592
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Schistosoma mansoni nuclear hormone receptor 0.0401 0.2067 0.2002
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0231 1
Brugia malayi nuclear receptor NHR-88 0.085 0.4634 1
Echinococcus granulosus microtubule associated protein 2 0.0667 0.3585 0.7698
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Schistosoma mansoni thyroid hormone receptor 0.085 0.4634 0.459
Echinococcus granulosus ecdysone induced protein 78C 0.085 0.4634 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Echinococcus multilocularis nuclear receptor nhr 48 0.0401 0.2067 0.4371
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Schistosoma mansoni nuclear hormone receptor 0.0401 0.2067 0.2002
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0063 0.0133 0.0052
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0205 0.0947 0.1914
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0353 0.1792 0.8842
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0517 0.7532
Brugia malayi Nuclear hormone receptor family member nhr-14 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Brugia malayi ecdysone receptor 0.0401 0.2067 0.4461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.085 0.4634 1
Schistosoma mansoni hypothetical protein 0.0084 0.0253 0.0173
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0231 0.2592
Brugia malayi nuclear receptor RXR 0.0401 0.2067 0.4461
Entamoeba histolytica hypothetical protein 0.0078 0.022 0.5
Leishmania major cathepsin L-like protease 0.013 0.0517 0.7532
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Brugia malayi Nuclear hormone receptor E75 0.0401 0.2067 0.4461
Brugia malayi Steroid receptor seven-up type 2 0.085 0.4634 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.022 0.0319
Brugia malayi jmjC domain containing protein 0.0076 0.0208 0.0449
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.085 0.4634 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0517 0.7532
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0401 0.2067 0.4371
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.022 0.0319
Echinococcus granulosus thioredoxin glutathione reductase 0.0155 0.0659 0.1284
Toxoplasma gondii PHD-finger domain-containing protein 0.0063 0.0133 0.0887
Brugia malayi Nuclear hormone receptor family member nhr-19 0.085 0.4634 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.0535 0.0895
Echinococcus multilocularis peregrin 0.0063 0.0133 0.0129
Loa Loa (eye worm) latrophilin receptor protein 2 0.0084 0.0253 0.0267
Leishmania major trypanothione reductase 0.0155 0.0659 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Plasmodium vivax glutathione reductase, putative 0.0155 0.0659 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Loa Loa (eye worm) jmjC domain-containing protein 0.0076 0.0208 0.0167
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.3585 0.3532
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0401 0.2067 0.4461
Brugia malayi Nuclear hormone receptor-like 1 0.085 0.4634 1
Trichomonas vaginalis glutathione reductase, putative 0.0054 0.0081 0.5
Schistosoma mansoni hypothetical protein 0.0181 0.0807 0.0732
Loa Loa (eye worm) nuclear hormone receptor 0.0401 0.2067 0.4297
Echinococcus multilocularis FTZ F1 alpha 0.085 0.4634 1
Brugia malayi PHD-finger family protein 0.0063 0.0133 0.0286
Echinococcus multilocularis jumonji domain containing protein 0.0087 0.0273 0.0436
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.085 0.4634 1
Echinococcus multilocularis GPCR, family 2 0.0084 0.0253 0.0392
Mycobacterium tuberculosis Probable reductase 0.0353 0.1792 0.8842
Loa Loa (eye worm) hypothetical protein 0.0449 0.2342 0.4908
Entamoeba histolytica hypothetical protein 0.0078 0.022 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.0535 0.0895
Brugia malayi photoreceptor-specific nuclear receptor 0.085 0.4634 1
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.3585 0.7698
Schistosoma mansoni nuclear hormone receptor 0.085 0.4634 0.459
Loa Loa (eye worm) hypothetical protein 0.0084 0.0253 0.0267
Brugia malayi nuclear hormone receptor 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.085 0.4634 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0054 0.0081 0.0038
Onchocerca volvulus Bile acid receptor homolog 0.085 0.4634 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0392 0.2017 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.085 0.4634 0.459
Brugia malayi jmjC domain containing protein 0.0205 0.0947 0.2043
Trypanosoma cruzi major cysteine proteinase, putative 0.0102 0.0358 0.4785
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.085 0.4634 1
Plasmodium vivax thioredoxin reductase, putative 0.0155 0.0659 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0401 0.2067 0.2002
Brugia malayi nuclear hormone receptor 0.0401 0.2067 0.4461
Mycobacterium tuberculosis Probable oxidoreductase 0.0392 0.2017 1
Brugia malayi hypothetical protein 0.0078 0.022 0.0474
Loa Loa (eye worm) DR-78 0.0401 0.2067 0.4297
Schistosoma mansoni hypothetical protein 0.0084 0.0253 0.0173
Schistosoma mansoni jumonji domain containing protein 0.0163 0.0706 0.063
Schistosoma mansoni nuclear receptor nhr-48 0.0401 0.2067 0.2002
Brugia malayi Nuclear hormone receptor-like 1 0.0449 0.2342 0.5054
Echinococcus multilocularis thioredoxin glutathione reductase 0.0155 0.0659 0.1284
Schistosoma mansoni coup transcription factor 0.085 0.4634 0.459
Loa Loa (eye worm) thioredoxin reductase 0.0155 0.0659 0.117
Brugia malayi latrophilin 2 splice variant baaae 0.0181 0.0807 0.1742
Brugia malayi Bromodomain containing protein 0.0063 0.0133 0.0286
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0401 0.2067 0.4371
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0084 0.0253 0.0545
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.085 0.4634 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.085 0.4634 1
Entamoeba histolytica hypothetical protein 0.0078 0.022 0.5
Brugia malayi conserved hypotetical protein 0.0401 0.2067 0.4461
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.0208 0.0128
Leishmania major cathepsin L-like protease 0.013 0.0517 0.7532
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0353 0.1792 0.8842
Loa Loa (eye worm) hypothetical protein 0.0449 0.2342 0.4908
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0401 0.2067 0.4371
Echinococcus multilocularis PHD finger protein rhinoceros 0.0063 0.0133 0.0129
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0401 0.2067 0.4371
Schistosoma mansoni retinoid-x-receptor (RXR) 0.085 0.4634 0.459
Echinococcus multilocularis thyroid hormone receptor alpha 0.085 0.4634 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0449 0.2342 0.4908
Plasmodium falciparum phd finger protein, putative 0.0063 0.0133 0.0887
Brugia malayi Nuclear hormone receptor family member nhr-31 0.085 0.4634 1
Echinococcus granulosus GPCR family 2 0.0084 0.0253 0.0392
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0449 0.2342 0.4973
Loa Loa (eye worm) hypothetical protein 0.008 0.0231 0.0219
Onchocerca volvulus 0.085 0.4634 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.085 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2067 0.4297
Schistosoma mansoni hypothetical protein 0.0063 0.0133 0.0052

Activities

Activity type Activity value Assay description Source Reference
Partition coefficient = 7.4 Partition coefficient of the compound was measured in n-octanol at the PH 7.4 buffer ChEMBL. 1920362
pKa (functional) = 7.83 pKa value of the compound was measured in the cultures of EMT6 mouse mammary tumor cells under aerobic and hypoxic conditions ChEMBL. 1920362

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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