Detailed information for compound 1216534

Basic information

Technical information
  • TDR Targets ID: 1216534
  • Name: [(3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tetramethy l-3-[(3E,5E,8Z)-6-methyl-7,10-dioxoundeca-3,5 ,8-trien-2-ylidene]-2-oxo-1,4,5,5a,7,8,9,9b-o ctahydrobenzo[g]inden-7-yl] acetate
  • MW: 494.662 | Formula: C31H42O5
  • H donors: 0 H acceptors: 4 LogP: 6.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C=C\C(=O)/C(=C/C=C/C(=C/1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)OC(=O)C)/C)/C
  • InChi: 1S/C31H42O5/c1-19(23(34)13-12-21(3)32)10-9-11-20(2)28-24(35)18-26-30(7)17-15-27(36-22(4)33)29(5,6)25(30)14-16-31(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,13-12-,19-10+,28-20+/t25-,26-,27-,30-,31-/m0/s1
  • InChiKey: CDPPOXOHMOXLAH-IRQGZCGKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(3Z,3aS,5aR,7S,9aR,9bS)-3-[(2E,4E,7Z)-1,5-dimethyl-6,9-dioxo-deca-2,4,7-trienylidene]-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-7-yl] acetate
  • acetic acid [(3Z,3aS,5aR,7S,9aR,9bS)-3-[(2E,4E,7Z)-1,5-dimethyl-6,9-dioxodeca-2,4,7-trienylidene]-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-7-yl] ester
  • acetic acid [(3Z,3aS,5aR,7S,9aR,9bS)-3-[(2E,4E,7Z)-6,9-diketo-1,5-dimethyl-deca-2,4,7-trienylidene]-2-keto-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-7-yl] ester
  • [(3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E,8Z)-6-methyl-7,10-dioxo-undeca-3,5,8-trien-2-ylidene]-2-oxo-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-7-yl] ethanoate

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
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0057 0.017
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0353 0.0353
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0093 0.1299 0.1299
Schistosoma mansoni survival motor neuron protein 0.0047 0.0615 0.0615
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0057 0.0057
Echinococcus multilocularis geminin 0.0166 0.2387 0.2387
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0057 0.017
Echinococcus multilocularis CAAX prenyl protease 2 0.0181 0.2612 0.2612
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0353 0.0353
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0607 0.4999
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.15 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0151 0.1421
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0057 0.0057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.1918 0.1918
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0654 0.0654
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0057 0.017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0057 0.017
Plasmodium falciparum glutathione reductase 0.0047 0.0607 0.4999
Onchocerca volvulus 0.003 0.0353 0.1049
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0665 0.0665
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.003 0.003
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Treponema pallidum hypothetical protein 0.0037 0.0467 0.3467
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0353 0.2214
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0353 0.0353
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0057 0.0057
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1677 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0665 0.2616
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0607 0.1802
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0353 0.0353
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0151 0.1421
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0654 0.0654
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0057 0.017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0353 0.0353
Loa Loa (eye worm) hypothetical protein 0.0093 0.1299 0.3858
Brugia malayi nuclear hormone receptor 0.001 0.0057 0.017
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0654 0.2046
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0181 0.2612 1
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.3367 0.3367
Trypanosoma brucei protein kinase, putative 0.005 0.0654 0.2046
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.15 0.8837
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0057 0.017
Onchocerca volvulus 0.0093 0.1299 0.3861
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0057 0.0057
Echinococcus granulosus FTZ F1 alpha 0.001 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0057 0.017
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0654 0.1934
Echinococcus granulosus cpg binding protein 0.003 0.0353 0.0353
Loa Loa (eye worm) histone methyltransferase 0.001 0.0055 0.0164
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0134 0.1918 0.5697
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0607 0.0607
Brugia malayi Pre-SET motif family protein 0.003 0.0353 0.1048
Plasmodium vivax glutathione reductase, putative 0.0047 0.0607 0.4999
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0654 0.1934
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0151 0.0151
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1677 1
Brugia malayi MAP kinase sur-1 0.005 0.0654 0.1944
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0057 0.017
Schistosoma mansoni thyroid hormone receptor 0.001 0.0057 0.0057
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0057 0.0057
Brugia malayi Pre-SET motif family protein 0.0203 0.2946 0.875
Toxoplasma gondii hypothetical protein 0.0037 0.0467 0.3467
Loa Loa (eye worm) glutathione reductase 0.0047 0.0607 0.1802
Onchocerca volvulus 0.0231 0.3364 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0.0467 0.207
Schistosoma mansoni hypothetical protein 0.0047 0.0615 0.0615
Schistosoma mansoni cpg binding protein 0.0028 0.0329 0.0329
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0057 0.0057
Toxoplasma gondii thioredoxin reductase 0.0047 0.0607 0.4999
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0057 0.0057
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0057 0.0057
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0093 0.1299 0.3858
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0057 0.017
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0665 0.3369
Schistosoma mansoni hypothetical protein 0.0166 0.2387 0.2387
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0353 0.0353
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0151 0.0436
Brugia malayi CXXC zinc finger family protein 0.0028 0.0329 0.0978
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0353 0.0353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1918 0.1918
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0607 0.2985
Mycobacterium ulcerans hypothetical protein 0.0037 0.0467 0.4395
Brugia malayi nuclear receptor NHR-88 0.001 0.0057 0.017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0057 0.017
Schistosoma mansoni cpg binding protein 0.003 0.0353 0.0353
Leishmania major trypanothione reductase 0.0047 0.0607 0.1852
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0057 0.0057
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.003 0.0353 0.1048
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0057 0.017
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0057 0.017
Brugia malayi Trypsin family protein 0.0093 0.1299 0.3858
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.003 0.003
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0816 0.0816
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0181 0.2612 0.2612
Giardia lamblia Hypothetical protein 0.0181 0.2612 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0654 0.2046
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0654 0.2046
Plasmodium falciparum protease, putative 0.0037 0.0467 0.3467
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.1918 0.1918
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0607 0.1852
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1062 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0057 0.017
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0654 0.0654
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0055 0.0055
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0654 0.2046
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2946 0.875
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0654 0.1944
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Onchocerca volvulus 0.0028 0.0329 0.0979
Brugia malayi glutathione reductase 0.0047 0.0607 0.1802
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.3367 0.3367
Brugia malayi steroid hormone receptor 0.001 0.0057 0.017
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1062 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0151 0.0436
Echinococcus multilocularis dnaJ subfamily B 0.04 0.589 0.589
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0151 0.0449
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0057 0.017
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0181 0.2612 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0037 0.0467 0.207
Plasmodium falciparum thioredoxin reductase 0.0047 0.0607 0.4999
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0607 0.0607
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0231 0.3367 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0054 0.0159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0057 0.0057
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.1062 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0654 0.1934
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0057 0.017
Schistosoma mansoni hypothetical protein 0.04 0.589 0.589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1918 0.1918
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.15 0.8837
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0654 0.1934
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0654 0.2046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.1918 0.1918
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0181 0.2612 0.2612
Echinococcus granulosus dnaJ subfamily B 0.04 0.589 0.589
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.15 0.8705
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.1062 0.5514
Toxoplasma gondii hypothetical protein 0.0027 0.0307 0.1708
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0654 0.2046
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0087 0.0258
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0134 0.1918 0.5697
Plasmodium vivax protease, putative 0.0037 0.0467 0.3467
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.15 0.8837
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0665 0.0665
Brugia malayi CAAX amino terminal protease family protein 0.0181 0.2612 0.7756
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0654 0.2046
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0307 0.1708
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0181 0.2612 0.7759
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0151 0.0151
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0057 0.0057
Plasmodium vivax SET domain protein, putative 0.003 0.0353 0.2214
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0166 0.2387 0.2387
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3364 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0654 0.5524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0057 0.017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0057 0.017
Schistosoma mansoni coup transcription factor 0.001 0.0057 0.0057
Brugia malayi ecdysteroid receptor 0.001 0.0057 0.017
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0151 0.1421
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0151 0.0151
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0093 0.1299 0.1299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0057 0.017
Schistosoma mansoni thyroid hormone receptor 0.001 0.0057 0.0057
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0181 0.2612 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0467 0.4395
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0057 0.0057
Trypanosoma brucei trypanothione reductase 0.0047 0.0607 0.1852
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0057 0.0057
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0057 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0057 0.017
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0328 0.0328
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0057 0.017
Schistosoma mansoni cpg binding protein 0.003 0.0353 0.0353
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0037 0.0467 0.207
Chlamydia trachomatis hypothetical protein 0.0037 0.0467 0.3467
Brugia malayi hypothetical protein 0.0231 0.3367 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0057 0.017
Schistosoma mansoni nuclear hormone receptor 0.001 0.0057 0.0057
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.1062 0.1062
Onchocerca volvulus 0.0087 0.1208 0.3591
Mycobacterium ulcerans integral membrane protein 0.0037 0.0467 0.4395
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.1062 0.1062
Echinococcus granulosus CAAX prenyl protease 2 0.0181 0.2612 0.2612
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.15 0.8837
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0181 0.2612 0.7756
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0329 0.0978
Mycobacterium tuberculosis Probable reductase 0.0106 0.15 0.8837
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0087 0.0258
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0057 0.0057
Brugia malayi Probable ClpP-like protease 0.0077 0.1062 0.3155
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1062 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0057 0.0057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.1918 0.1918
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0057 0.017
Echinococcus multilocularis cpg binding protein 0.003 0.0353 0.0353
Trypanosoma brucei CAAX amino terminal protease, putative 0.0181 0.2612 1
Entamoeba histolytica CAAX prenyl protease family 0.0181 0.2612 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1677 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.1062 0.1062
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0307 0.1708
Echinococcus granulosus geminin 0.0166 0.2387 0.2387
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0615 0.1826
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0057 0.017
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0654 0.0654
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0057 0.017
Brugia malayi Thioredoxin reductase 0.0047 0.0607 0.1802
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.017
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0654 0.2046
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0057 0.0057
Onchocerca volvulus 0.001 0.0057 0.017
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0721 0.6254
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1677 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.003 0.003
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0037 0.0467 0.207
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0057 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0057 0.017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0057 0.017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0057 0.017
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0665 0.3369
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0077 0.1062 0.3155
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0307 0.1708
Toxoplasma gondii hypothetical protein 0.0037 0.0467 0.3467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1918 0.1918
Onchocerca volvulus 0.0047 0.0615 0.1827
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0467 0.3467

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.5 ug ml-1 Cytotoxicity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 15620246
IC50 (functional) = 2.2 ug ml-1 Cytotoxicity against human BGC823 cells after 48 hrs by MTT assay ChEMBL. 15620246
IC50 (functional) = 3 ug ml-1 Cytotoxicity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 15620246
IC50 (functional) = 3.9 ug ml-1 Cytotoxicity against human Bel7402 cells after 48 hrs by MTT assay ChEMBL. 15620246

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15620246

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

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