Detailed information for compound 1532904

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.57 | Formula: C25H27FN4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)C(=O)N(Cc1ccccc1F)C
  • InChi: 1S/C25H27FN4O3S/c1-29(16-18-8-3-4-11-20(18)26)24(33)17-9-7-10-19(14-17)27-22(31)15-21-23(32)28-25(34-21)30-12-5-2-6-13-30/h3-4,7-11,14,21H,2,5-6,12-13,15-16H2,1H3,(H,27,31)
  • InChiKey: ZQSHCLHMMPIUJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0053 0.0341 0.0623
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.117 0.2135
Brugia malayi hypothetical protein 0.0043 0.0213 0.0343
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0107 0.0203
Schistosoma mansoni hypothetical protein 0.0111 0.1089 0.2658
Brugia malayi Steroid receptor seven-up type 2 0.0101 0.0962 0.1717
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0656 0.1024
Loa Loa (eye worm) hypothetical protein 0.0051 0.0306 0.0559
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0101 0.0962 0.1717
Schistosoma mansoni rab6-interacting 0.0064 0.0478 0.113
Brugia malayi TAR-binding protein 0.0256 0.2989 0.5432
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0101 0.0962 0.1756
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 0.078
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0107 0.0203
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0256 0.2989 0.5453
Loa Loa (eye worm) hypothetical protein 0.0071 0.057 0.104
Plasmodium falciparum LCCL domain-containing protein 0.0064 0.0478 0.7172
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.0267 0.0267
Toxoplasma gondii ABC1 family protein 0.0071 0.057 0.863
Echinococcus multilocularis Polycystic kidney disease protein 0.0064 0.0478 0.0478
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0312 0.3717 0.58
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0048 0.0267 0.0416
Schistosoma mansoni polycystin 1-related 0.0064 0.0478 0.113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0048 0.0267 0.0441
Schistosoma mansoni RAR-like nuclear receptor 0.0101 0.0962 0.2341
Echinococcus granulosus neuropeptide s receptor 0.0518 0.6409 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.057 0.1551
Echinococcus multilocularis lipoxygenase domain containing protein 0.0064 0.0478 0.0478
Echinococcus granulosus peregrin 0.0029 0.0027 0.0042
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0185 0.0185
Brugia malayi nuclear receptor NHR-88 0.0101 0.0962 0.1717
Brugia malayi hypothetical protein 0.0053 0.0341 0.0578
Onchocerca volvulus 0.0064 0.0478 0.0829
Schistosoma mansoni nuclear hormone receptor 0.0101 0.0962 0.2341
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.0267 0.0416
Loa Loa (eye worm) hypothetical protein 0.0071 0.057 0.104
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0341 0.0578
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0101 0.0962 0.1756
Echinococcus granulosus lamin dm0 0.0056 0.038 0.0593
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Onchocerca volvulus 0.0071 0.057 0.0997
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0027 0.0002
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0039 0.0071
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0053 0.0341 0.0532
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.3502 1
Brugia malayi beta-lactamase 0.0071 0.057 0.0997
Brugia malayi steroid hormone receptor 0.0101 0.0962 0.1717
Echinococcus multilocularis ecdysone induced protein 78C 0.0101 0.0962 0.0962
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0101 0.0962 0.1502
Schistosoma mansoni tar DNA-binding protein 0.0256 0.2989 0.7408
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0895 0.0895
Echinococcus multilocularis expressed conserved protein 0.009 0.0826 0.0826
Schistosoma mansoni rab6-interacting 0.0064 0.0478 0.113
Loa Loa (eye worm) hypothetical protein 0.0055 0.0367 0.0669
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0101 0.0962 0.0962
Onchocerca volvulus 0.0101 0.0962 0.1717
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Schistosoma mansoni nuclear receptor 0.0048 0.0267 0.0602
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.057 0.0499
Loa Loa (eye worm) hypothetical protein 0.0447 0.5481 1
Schistosoma mansoni hypothetical protein 0.0111 0.1089 0.2658
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0101 0.0962 0.1502
Loa Loa (eye worm) hypothetical protein 0.0071 0.057 0.104
Echinococcus multilocularis G protein coupled receptor 139 0.0157 0.1699 0.1699
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.057 0.1551
Schistosoma mansoni hypothetical protein 0.0335 0.4026 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0048 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0071 0.057 0.104
Brugia malayi tailless protein 0.0048 0.0267 0.0441
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0027 0.0049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0827 0.0827
Loa Loa (eye worm) latrophilin receptor protein 2 0.0111 0.1089 0.1987
Brugia malayi beta-lactamase family protein 0.0071 0.057 0.0997
Schistosoma mansoni tar DNA-binding protein 0.0256 0.2989 0.7408
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0349 0.4208 0.7666
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.057 0.0499
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.3502 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0827 0.2001
Onchocerca volvulus Alhambra homolog 0.0029 0.0027 0.0001
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0111 0.1089 0.1699
Schistosoma mansoni hypothetical protein 0.0043 0.0213 0.0467
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0656 1
Schistosoma mansoni nuclear hormone receptor 0.0048 0.0267 0.0602
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0656 0.1575
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0101 0.0962 0.1717
Echinococcus multilocularis neuropeptide s receptor 0.0518 0.6409 0.6409
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0027 0.0027
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0101 0.0962 0.2341
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 0.078
Brugia malayi hypothetical protein 0.0053 0.0341 0.0578
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0827 0.1467
Brugia malayi Probable ClpP-like protease 0.0077 0.0656 0.1155
Giardia lamblia PHD finger protein 15 0.0029 0.0027 0.5
Mycobacterium leprae Probable lipase LipE 0.0071 0.057 0.7521
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Brugia malayi RNA recognition motif domain containing protein 0.0256 0.2989 0.5432
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.031 0.0367
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0101 0.0962 0.1717
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0101 0.0962 0.1717
Schistosoma mansoni lamin 0.0056 0.038 0.0885
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0101 0.0962 0.1756
Brugia malayi MH2 domain containing protein 0.0117 0.117 0.2097
Schistosoma mansoni coup transcription factor 0.0101 0.0962 0.2341
Schistosoma mansoni lamin 0.0056 0.038 0.0885
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0101 0.0962 0.1502
Onchocerca volvulus Protein ultraspiracle homolog 0.0101 0.0962 0.1717
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.0267 0.0416
Schistosoma mansoni intermediate filament proteins 0.0056 0.038 0.0885
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Schistosoma mansoni tar DNA-binding protein 0.0256 0.2989 0.7408
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0101 0.0962 0.1717
Loa Loa (eye worm) TAR-binding protein 0.0256 0.2989 0.5453
Plasmodium vivax hypothetical protein, conserved 0.0071 0.057 0.863
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0101 0.0962 0.2341
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Plasmodium vivax multidomain scavenger receptor, putative 0.0064 0.0478 0.7176
Onchocerca volvulus 0.0056 0.038 0.0649
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0026 0.0026
Onchocerca volvulus 0.0048 0.0267 0.0441
Schistosoma mansoni neuropeptide receptor 0.0157 0.1699 0.4182
Brugia malayi nuclear hormone receptor family member odr-7 0.0048 0.0267 0.0441
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0048 0.0267 0.0602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0101 0.0962 0.1756
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0107 0.0167
Loa Loa (eye worm) RNA binding protein 0.0256 0.2989 0.5453
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.057 0.0499
Echinococcus multilocularis neuropeptide receptor A26 0.0518 0.6409 0.6409
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Schistosoma mansoni patched 1 0.0041 0.0185 0.0397
Brugia malayi hypothetical protein 0.0048 0.0267 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0101 0.0962 0.1717
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0101 0.0962 0.2341
Loa Loa (eye worm) doublecortin family protein 0.0064 0.0478 0.0872
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0176 0.0275
Echinococcus multilocularis thyroid hormone receptor alpha 0.0224 0.257 0.257
Echinococcus granulosus GPCR family 2 0.0111 0.1089 0.1699
Echinococcus granulosus Polycystic kidney disease protein 0.0064 0.0478 0.0746
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0101 0.0962 0.1502
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.057 0.1153
Onchocerca volvulus 0.0064 0.0478 0.0829
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0903 0.1408
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0048 0.0267 0.0267
Echinococcus granulosus FTZ F1 alpha 0.0101 0.0962 0.1502
Schistosoma mansoni steroid hormone receptor ad4bp 0.0101 0.0962 0.2341
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0101 0.0962 0.2341
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0341 0.0578
Echinococcus multilocularis tar DNA binding protein 0.0256 0.2989 0.2989
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.057 0.0889
Echinococcus multilocularis peregrin 0.0029 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0064 0.0478 0.0872
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2665 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0101 0.0962 0.1717
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0213 0.0332
Schistosoma mansoni nuclear hormone receptor 0.0048 0.0267 0.0602
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.117 0.2135
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0656 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0827 0.1508
Schistosoma mansoni hypothetical protein 0.004 0.0166 0.0349
Onchocerca volvulus 0.0056 0.038 0.0649
Echinococcus multilocularis lipoxygenase domain containing protein 0.0064 0.0478 0.0478
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0101 0.0962 0.1717
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0111 0.1089 0.1987
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0656 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0026 0.0048
Onchocerca volvulus Bile acid receptor homolog 0.0101 0.0962 0.1717
Brugia malayi intermediate filament protein 0.0056 0.038 0.0649
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0039 0.0024
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.057 0.0499
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0827 0.2001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0101 0.0962 0.0962
Echinococcus multilocularis geminin 0.0335 0.4026 0.4026
Loa Loa (eye worm) hypothetical protein 0.0077 0.0656 0.1197
Echinococcus granulosus ecdysone induced protein 78C 0.0101 0.0962 0.1502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0101 0.0962 0.1756
Brugia malayi CHE-14 protein 0.0041 0.0185 0.0291
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0185 0.0289
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Echinococcus granulosus neuropeptide receptor 0.0157 0.1699 0.2651
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0903 0.0903
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0827 0.129
Loa Loa (eye worm) hypothetical protein 0.0053 0.0341 0.0623
Toxoplasma gondii hypothetical protein 0.0048 0.0268 0.3832
Brugia malayi beta-lactamase family protein 0.0071 0.057 0.0997
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.3502 1
Onchocerca volvulus 0.0447 0.5481 1
Brugia malayi jmjC domain containing protein 0.0035 0.0107 0.0149
Echinococcus multilocularis musashi 0.0056 0.038 0.038
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.1471 0.3255
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0638 0.1529
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0111 0.1089 0.1089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0349 0.4208 0.7678
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0107 0.0107
Schistosoma mansoni hypothetical protein 0.0123 0.1253 0.3068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.057 0.1359
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0026 0.0026
Brugia malayi jmjC domain containing protein 0.0096 0.0895 0.1592
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0101 0.0962 0.1502
Schistosoma mansoni nuclear receptor 0.0048 0.0267 0.0602
Loa Loa (eye worm) hypothetical protein 0.0064 0.0478 0.0872
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Echinococcus granulosus lipoxygenase domain containing protein 0.0064 0.0478 0.0746
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2299 0.4194
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Onchocerca volvulus 0.0071 0.057 0.0997
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.057 0.057
Mycobacterium ulcerans hypothetical protein 0.0156 0.1677 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Brugia malayi RNA binding protein 0.0256 0.2989 0.5432
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.038 0.0649
Brugia malayi nuclear receptor NHR-67 0.0048 0.0267 0.0441
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0048 0.0267 0.0487
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0827 0.129
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.057 0.0499
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1253 0.1955
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0101 0.0962 0.1717
Echinococcus multilocularis protein patched 0.0041 0.0185 0.0185
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0101 0.0962 0.1502
Trichomonas vaginalis esterase, putative 0.0071 0.057 0.1551
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0101 0.0962 0.1717
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0922 0.224
Brugia malayi hypothetical protein 0.0048 0.0267 0.0441
Brugia malayi Nuclear hormone receptor E75 0.0048 0.0267 0.0441
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0185 0.0338
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.049 0.0913
Loa Loa (eye worm) hypothetical protein 0.0053 0.0341 0.0623
Brugia malayi orphan nuclear receptor NR2E1 0.0048 0.0267 0.0441
Brugia malayi Nuclear hormone receptor E75 0.0048 0.0267 0.0441
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0101 0.0962 0.0962
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.049 0.0913
Brugia malayi nuclear receptor RXR 0.0053 0.0341 0.0578
Brugia malayi nuclear receptor NHR-88 0.0048 0.0267 0.0441
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0111 0.1089 0.1699
Echinococcus granulosus nuclear receptor nhr 48 0.0048 0.0267 0.0416
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0101 0.0962 0.1502
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Loa Loa (eye worm) nuclear receptor NHR-67 0.0048 0.0267 0.0487
Brugia malayi latrophilin 2 splice variant baaae 0.0239 0.2765 0.502
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.0267 0.0267
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.0267 0.0416
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0012 0.0019
Schistosoma mansoni hypothetical protein 0.004 0.0166 0.0349
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0101 0.0962 0.2341
Echinococcus multilocularis neuropeptide receptor 0.0157 0.1699 0.1699
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Echinococcus multilocularis lamin 0.0056 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Mycobacterium tuberculosis Conserved protein 0.0071 0.057 0.0499
Onchocerca volvulus 0.0048 0.0267 0.0441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0827 0.2001
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 0.5
Schistosoma mansoni hypothetical protein 0.0239 0.2765 0.6847
Schistosoma mansoni tar DNA-binding protein 0.0256 0.2989 0.7408
Loa Loa (eye worm) hypothetical protein 0.0071 0.057 0.104
Brugia malayi conserved hypotetical protein 0.0048 0.0267 0.0441
Loa Loa (eye worm) hypothetical protein 0.0071 0.057 0.104
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0656 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0433 0.079
Schistosoma mansoni hypothetical protein 0.0064 0.0478 0.113
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Echinococcus granulosus lipoxygenase domain containing protein 0.0064 0.0478 0.0746
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Brugia malayi hypothetical protein 0.0064 0.0478 0.0829
Brugia malayi ecdysteroid receptor 0.0101 0.0962 0.1717
Loa Loa (eye worm) hypothetical protein 0.0029 0.0027 0.0049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.057 0.1359
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.1471 0.3871
Brugia malayi nuclear hormone receptor 0.0048 0.0267 0.0441
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0895 0.1396
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0308 0.0481
Loa Loa (eye worm) steroid hormone receptor 0.0101 0.0962 0.1756
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Schistosoma mansoni nuclear receptor nhr-48 0.0048 0.0267 0.0602
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Schistosoma mansoni tar DNA-binding protein 0.0256 0.2989 0.7408
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.057 0.1551
Echinococcus granulosus expressed conserved protein 0.009 0.0826 0.129
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.0341 0.0788
Brugia malayi Doublecortin family protein 0.0064 0.0478 0.0829
Schistosoma mansoni hypothetical protein 0.0111 0.1089 0.2658
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0101 0.0962 0.0962
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.1471 0.3871
Loa Loa (eye worm) DR-78 0.0048 0.0267 0.0487
Loa Loa (eye worm) hypothetical protein 0.0056 0.038 0.0693
Schistosoma mansoni hypothetical protein 0.0335 0.4026 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 0.5
Echinococcus multilocularis lamin dm0 0.0056 0.038 0.038
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0027 0.0013
Onchocerca volvulus 0.0231 0.2665 0.4838
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0101 0.0962 0.1756
Brugia malayi Nuclear hormone receptor-like 1 0.0101 0.0962 0.1717
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1253 0.1253
Echinococcus multilocularis RUN 0.0064 0.0478 0.0478
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0308 0.0308
Brugia malayi nuclear receptor RXR 0.0048 0.0267 0.0441
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0107 0.0195
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.057 0.0499
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0452 0.5551 1
Schistosoma mansoni lipoxygenase 0.0312 0.3717 0.9228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0827 0.0827
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.057 0.1551
Loa Loa (eye worm) hypothetical protein 0.0349 0.4208 0.7678
Schistosoma mansoni thyroid hormone receptor 0.0224 0.257 0.636
Loa Loa (eye worm) beta-lactamase 0.0071 0.057 0.104
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0101 0.0962 0.1717
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.057 0.104
Loa Loa (eye worm) intermediate filament protein 0.0056 0.038 0.0693
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0656 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0048 0.0267 0.0416
Loa Loa (eye worm) hypothetical protein 0.0053 0.0341 0.0623
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.057 0.1153
Echinococcus multilocularis nuclear receptor nhr 48 0.0048 0.0267 0.0267
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0101 0.0962 0.0962
Brugia malayi hypothetical protein 0.0447 0.5481 1
Brugia malayi ecdysone receptor 0.0048 0.0267 0.0441
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0903 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0903 0.1607
Schistosoma mansoni zinc finger protein 0.0048 0.0267 0.0602
Brugia malayi Calcitonin receptor-like protein seb-1 0.0349 0.4208 0.7666
Brugia malayi Pre-SET motif family protein 0.0203 0.2299 0.4166
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0027 0.0013
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0417 0.0692
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.038 0.0693
Schistosoma mansoni loxhd1 0.0064 0.0478 0.113
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.049 0.0913
Schistosoma mansoni hypothetical protein 0.004 0.0166 0.0349
Echinococcus multilocularis FTZ F1 alpha 0.0101 0.0962 0.0962
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0111 0.1089 0.1089
Schistosoma mansoni thyroid hormone receptor 0.0224 0.257 0.636
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0111 0.1089 0.1949
Mycobacterium tuberculosis Conserved protein 0.0071 0.057 0.0499
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Loa Loa (eye worm) nuclear hormone receptor 0.0048 0.0267 0.0487
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.1677 0.2611
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1442 0.225
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0656 0.0656
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0101 0.0962 0.1756
Brugia malayi Latrophilin receptor protein 2 0.0111 0.1089 0.1949
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0053 0.0341 0.0341
Echinococcus granulosus intermediate filament protein 0.0056 0.038 0.0593
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0101 0.0962 0.1717
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0048 0.0267 0.0441
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Brugia malayi hypothetical protein 0.0064 0.0478 0.0829
Brugia malayi photoreceptor-specific nuclear receptor 0.0101 0.0962 0.1717
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0048 0.0267 0.0602
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0101 0.0962 0.2341
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.057 0.0499
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.057 0.1153
Schistosoma mansoni retinoic acid receptor RXR 0.0101 0.0962 0.2341
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0185 0.0289
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0306 0.0358
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0101 0.0962 0.1717
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0213 0.0467
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0312 0.3717 0.3717
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0026 0.0041
Schistosoma mansoni lipoxygenase 0.0197 0.2218 0.5481
Echinococcus multilocularis GPCR, family 2 0.0111 0.1089 0.1089
Loa Loa (eye worm) hypothetical protein 0.0041 0.0185 0.0338
Mycobacterium leprae conserved hypothetical protein 0.0071 0.057 0.7521
Brugia malayi nuclear hormone receptor 0.0101 0.0962 0.1717
Leishmania major hypothetical protein, conserved 0.0071 0.057 0.0264
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.057 0.0997
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Echinococcus granulosus neuropeptide receptor A26 0.0518 0.6409 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1442 0.1442
Mycobacterium tuberculosis Conserved protein 0.0071 0.057 0.0499
Echinococcus multilocularis protein dispatched 1 0.0047 0.0261 0.0261
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0213 0.0213
Schistosoma mansoni hypothetical protein 0.0029 0.0027 0.0002
Brugia malayi Bromodomain containing protein 0.0029 0.0027 0.0001
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0053 0.0341 0.0623
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0053 0.0341 0.0788
Loa Loa (eye worm) hypothetical protein 0.0239 0.2765 0.5044
Schistosoma mansoni hypothetical protein 0.0111 0.1089 0.2658
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0048 0.0267 0.0441
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.057 0.1551
Echinococcus granulosus geminin 0.0335 0.4026 0.6281
Loa Loa (eye worm) hypothetical protein 0.0101 0.0962 0.1756
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.3502 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0101 0.0962 0.1717
Loa Loa (eye worm) hypothetical protein 0.0053 0.0341 0.0623
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0101 0.0962 0.0962
Onchocerca volvulus 0.0071 0.057 0.0997
Loa Loa (eye worm) hypothetical protein 0.005 0.0299 0.0546
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0027 0.0013
Echinococcus granulosus RUN 0.0064 0.0478 0.0746
Echinococcus granulosus lamin 0.0056 0.038 0.0593
Loa Loa (eye worm) hypothetical protein 0.0096 0.0903 0.1647
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.0267 0.0267
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.049 0.0913
Brugia malayi PHD-finger family protein 0.0029 0.0027 0.0001
Brugia malayi nuclear hormone receptor family member nhr-6 0.0048 0.0267 0.0441
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.049 0.0913
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0027 0.0042
Echinococcus granulosus tar DNA binding protein 0.0256 0.2989 0.4664
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0487
Schistosoma mansoni hypothetical protein 0.004 0.0166 0.0349

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 35.4813 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) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

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.
 
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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