Detailed information for compound 757762

Basic information

Technical information
  • TDR Targets ID: 757762
  • Name: ethyl 5-[(4-diethylamino-2-methoxyphenyl)meth ylidene]-2-[(4-methoxyphenyl)amino]-4-oxothio phene-3-carboxylate
  • MW: 482.592 | Formula: C26H30N2O5S
  • H donors: 1 H acceptors: 2 LogP: 6.25 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(cc2OC)N(CC)CC)C1=O
  • InChi: 1S/C26H30N2O5S/c1-6-28(7-2)19-12-9-17(21(16-19)32-5)15-22-24(29)23(26(30)33-8-3)25(34-22)27-18-10-13-20(31-4)14-11-18/h9-16,27H,6-8H2,1-5H3/b22-15-
  • InChiKey: VUICROGKRHGOTQ-JCMHNJIXSA-N  

Network

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Synonyms

  • ethyl (5Z)-5-[(4-diethylamino-2-methoxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxothiophene-3-carboxylate
  • ethyl 5-[(4-diethylamino-2-methoxy-phenyl)methylene]-2-[(4-methoxyphenyl)amino]-4-oxo-thiophene-3-carboxylate
  • ethyl (5Z)-5-[(4-diethylamino-2-methoxy-phenyl)methylene]-2-[(4-methoxyphenyl)amino]-4-oxo-thiophene-3-carboxylate
  • 5-[(4-diethylamino-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester
  • (5Z)-5-[(4-diethylamino-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester
  • 5-(4-diethylamino-2-methoxy-benzylidene)-4-keto-2-[(4-methoxyphenyl)amino]thiophene-3-carboxylic acid ethyl ester
  • (5Z)-5-(4-diethylamino-2-methoxy-benzylidene)-4-keto-2-[(4-methoxyphenyl)amino]thiophene-3-carboxylic acid ethyl ester
  • ethyl 5-[(4-diethylamino-2-methoxy-phenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-thiophene-3-carboxylate
  • ethyl (5Z)-5-[(4-diethylamino-2-methoxy-phenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-thiophene-3-carboxylate
  • AN-989/14669058
  • ZINC08438418

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 snurportin 1 0.0321 0.5108 0.5943
Schistosoma mansoni hypothetical protein 0.0519 0.857 0.8565
Mycobacterium tuberculosis Probable reductase 0.0115 0.1514 0.3932
Schistosoma mansoni survival motor neuron protein 0.005 0.0388 0.0354
Trypanosoma brucei trypanothione reductase 0.005 0.0389 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.1514 0.3932
Brugia malayi mbt repeat family protein 0.0099 0.1236 0.3182
Leishmania major trypanothione reductase 0.005 0.0389 1
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0805 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1116 0.1085
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.1514 0.3932
Loa Loa (eye worm) mbt repeat family protein 0.0099 0.1236 0.2368
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0159 0.008
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0131 0.044
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0244
Echinococcus multilocularis pyruvate kinase 0.0036 0.0131 0.0152
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0113 0.1475 0.3815
Plasmodium falciparum thioredoxin reductase 0.005 0.0389 1
Schistosoma mansoni hypothetical protein 0.0321 0.5108 0.509
Onchocerca volvulus 0.0037 0.0159 0.0684
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0159 0.1092
Brugia malayi beta-lactamase family protein 0.0037 0.0159 0.0327
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.2442 0.282
Onchocerca volvulus 0.0099 0.1236 1
Schistosoma mansoni chromobox protein 0.0074 0.0805 0.0772
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0159 0.172
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0159 0.0327
Loa Loa (eye worm) hypothetical protein 0.0042 0.0236 0.0396
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0159 0.008
Onchocerca volvulus 0.0037 0.0159 0.0684
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.1116 0.1266
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0389 0.0698
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0159 0.0145
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0244
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0389 0.0415
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0131 0.2692
Echinococcus multilocularis histone acetyltransferase MYST2 0.0113 0.1475 0.1721
Echinococcus granulosus SAM and MBT domain containing protein 0.0099 0.1236 0.1407
Brugia malayi beta-lactamase family protein 0.0037 0.0159 0.0327
Toxoplasma gondii ABC1 family protein 0.0037 0.0159 0.349
Echinococcus multilocularis chromobox protein 1 0.0074 0.0805 0.0939
Plasmodium falciparum glutathione reductase 0.005 0.0389 1
Toxoplasma gondii thioredoxin reductase 0.005 0.0389 1
Schistosoma mansoni alpha-glucosidase 0.0145 0.2034 0.2006
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0159 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.1514 0.3932
Mycobacterium tuberculosis Conserved protein 0.0037 0.0159 0.008
Brugia malayi RNA, U transporter 1 0.0085 0.1002 0.256
Echinococcus multilocularis pyruvate kinase 0.0036 0.0131 0.0152
Brugia malayi glutathione reductase 0.005 0.0389 0.0938
Loa Loa (eye worm) hypothetical protein 0.0113 0.1475 0.2839
Mycobacterium tuberculosis Conserved protein 0.0037 0.0159 0.008
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0161 0.1754
Schistosoma mansoni sex comb on midleg homolog 0.0099 0.1236 0.1205
Schistosoma mansoni hypothetical protein 0.0519 0.857 0.8565
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0131 0.1358
Loa Loa (eye worm) RNA binding protein 0.0199 0.2979 0.5803
Echinococcus multilocularis snurportin 1 0.0321 0.5108 0.596
Echinococcus granulosus polycomb protein SCMH1 0.0099 0.1236 0.1407
Loa Loa (eye worm) glutathione reductase 0.005 0.0389 0.0698
Echinococcus granulosus chromobox protein 1 0.0074 0.0805 0.0902
Loa Loa (eye worm) hypothetical protein 0.0033 0.008 0.0087
Loa Loa (eye worm) TAR-binding protein 0.0199 0.2979 0.5803
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0159 0.172
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.365 1
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0389 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0161 0.5
Schistosoma mansoni alpha glucosidase 0.0037 0.0161 0.0127
Echinococcus granulosus histone acetyltransferase MYST2 0.0113 0.1475 0.1687
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0159 0.0185
Brugia malayi mbt repeat family protein 0.0099 0.1236 0.3182
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0131 0.044
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0159 0.008
Schistosoma mansoni pyruvate kinase 0.0036 0.0131 0.0096
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0161 0.1195
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.1514 0.3932
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0131 0.2692
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0159 0.0176
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0113 0.1475 0.1687
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0199 0.2979 0.5803
Schistosoma mansoni tar DNA-binding protein 0.0199 0.2979 0.2954
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0161 0.1754
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0161 0.0334
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.1116 0.2863
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0321 0.5108 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.1738 0.4567
Loa Loa (eye worm) hypothetical protein 0.0099 0.1236 0.2368
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.1116 0.2131
Echinococcus multilocularis importin subunit beta 1 0.003 0.0035 0.0041
Echinococcus granulosus pyruvate kinase 0.0036 0.0131 0.0112
Loa Loa (eye worm) hypothetical protein 0.0246 0.381 0.7442
Onchocerca volvulus 0.0037 0.0159 0.0684
Loa Loa (eye worm) beta-lactamase 0.0037 0.0159 0.0244
Echinococcus granulosus tar DNA binding protein 0.0199 0.2979 0.3449
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0161 0.0188
Echinococcus granulosus chromobox protein 1 0.0074 0.0805 0.0902
Plasmodium vivax glutathione reductase, putative 0.005 0.0389 1
Schistosoma mansoni alpha-glucosidase 0.0145 0.2034 0.2006
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0161 0.0249
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0236 0.1355
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0388 0.0934
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0159 0.172
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0161 0.1754
Schistosoma mansoni tar DNA-binding protein 0.0199 0.2979 0.2954
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.1116 0.1302
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0805 0.1517
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0131 0.2692
Schistosoma mansoni sex comb on midleg homolog 0.0099 0.1236 0.1205
Echinococcus multilocularis SAM and MBT domain containing protein 0.0099 0.1236 0.1443
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1116 0.1085
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0159 0.008
Leishmania major hypothetical protein, conserved 0.0037 0.0159 0.1092
Trypanosoma brucei glucosidase, putative 0.0037 0.0161 0.3566
Echinococcus granulosus pyruvate kinase 0.0036 0.0131 0.0112
Brugia malayi chromobox protein homolog 3 0.0042 0.0236 0.0533
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0161 0.1754
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0159 0.008
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0291 0.3419
Brugia malayi RNA recognition motif domain containing protein 0.0199 0.2979 0.7798
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0131 0.0252
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0161 0.3566
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0291 0.1831
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.2442 0.285
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0161 0.1754
Mycobacterium ulcerans hypothetical protein 0.0037 0.0159 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.1738 0.4567
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0244
Schistosoma mansoni tar DNA-binding protein 0.0199 0.2979 0.2954
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.1738 0.4567
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0131 0.2692
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0244
Echinococcus multilocularis geminin 0.0519 0.857 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0161 0.1195
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0159 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0236 0.2714
Loa Loa (eye worm) MBCTL1 0.0113 0.1475 0.2839
Brugia malayi Thioredoxin reductase 0.005 0.0389 0.0938
Schistosoma mansoni pyruvate kinase 0.0036 0.0131 0.0096
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0161 0.1195
Mycobacterium leprae Probable lipase LipE 0.0037 0.0159 0.0176
Echinococcus granulosus endonuclease exonuclease phosphatase 0.039 0.631 0.7352
Echinococcus multilocularis chromobox protein 1 0.0074 0.0805 0.0939
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.1116 0.1302
Giardia lamblia Pyruvate kinase 0.0036 0.0131 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0159 0.008
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0113 0.1475 0.1721
Schistosoma mansoni myelin transcription factor 1 myt1 0.0113 0.1475 0.1445
Chlamydia trachomatis pyruvate kinase 0.0036 0.0131 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.381 0.4446
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0159 0.349
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0131 0.044
Schistosoma mansoni hypothetical protein 0.005 0.0388 0.0354
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0161 0.1754
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1116 0.1085
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0131 0.0188
Echinococcus multilocularis tar DNA binding protein 0.0199 0.2979 0.3476
Brugia malayi hypothetical protein 0.0246 0.381 1
Trichomonas vaginalis esterase, putative 0.0037 0.0159 0.172
Brugia malayi TAR-binding protein 0.0199 0.2979 0.7798
Schistosoma mansoni tar DNA-binding protein 0.0199 0.2979 0.2954
Loa Loa (eye worm) hypothetical protein 0.0036 0.0131 0.0188
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.2442 0.285
Mycobacterium tuberculosis Conserved protein 0.0037 0.0159 0.008
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0161 0.1754
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0131 0.0188
Plasmodium falciparum pyruvate kinase 0.0036 0.0131 0.2692
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0159 0.172
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0389 0.0454
Onchocerca volvulus 0.005 0.0388 0.2665
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0236 0.2714
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.2442 0.4745
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0159 0.1092
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0159 0.008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0159 0.0124
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0159 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0099 0.1236 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0159 1
Echinococcus multilocularis polycomb protein SCMH1 0.0099 0.1236 0.1443
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0805 1
Schistosoma mansoni chromobox protein 0.0074 0.0805 0.0772
Brugia malayi Heterochromatin protein 1 0.0074 0.0805 0.2039
Schistosoma mansoni tar DNA-binding protein 0.0199 0.2979 0.2954
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.1738 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.039 0.631 0.7363
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.2442 0.6376
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.381 0.4423
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.1514 0.3932
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0131 0.0188
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0159 0.0244
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0161 0.1754
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0291 0.3419
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0131 0.1358
Onchocerca volvulus 0.0097 0.1206 0.974
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0161 0.0148
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0161 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0159 0.172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.1116 0.1266
Mycobacterium ulcerans beta-lactamase 0.0037 0.0159 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0244
Echinococcus granulosus geminin 0.0519 0.857 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0389 0.0735
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0389 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0099 0.1236 0.1205
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0161 0.1754
Brugia malayi beta-lactamase 0.0037 0.0159 0.0327
Brugia malayi RNA binding protein 0.0199 0.2979 0.7798
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0159 0.349
Loa Loa (eye worm) hypothetical protein 0.0037 0.0159 0.0244
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0131 0.0252
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.1514 0.8609

Activities

No activities found for this compound.

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

No literature references available for this target.

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