Detailed information for compound 619847

Basic information

Technical information
  • TDR Targets ID: 619847
  • Name: 3-chloro-N-[5-[2-[(4-fluorophenyl)amino]-2-ox oethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzami de
  • MW: 422.884 | Formula: C17H12ClFN4O2S2
  • H donors: 2 H acceptors: 4 LogP: 4.01 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)CSc1nnc(s1)NC(=O)c1cccc(c1)Cl
  • InChi: 1S/C17H12ClFN4O2S2/c18-11-3-1-2-10(8-11)15(25)21-16-22-23-17(27-16)26-9-14(24)20-13-6-4-12(19)5-7-13/h1-8H,9H2,(H,20,24)(H,21,22,25)
  • InChiKey: RSRFKFYGMNJZOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-N-[5-[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
  • 3-chloro-N-[5-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
  • 3-chloro-N-[5-[[2-[(4-fluorophenyl)amino]-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
  • Oprea1_577451

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
Loa Loa (eye worm) hypothetical protein 0.0076 0.1663 0.1628
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0744 0.0563
Mycobacterium leprae conserved hypothetical protein 0.0036 0.036 0.1014
Brugia malayi Probable ClpP-like protease 0.0076 0.1663 0.2057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.02 0.5696 0.5677
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.5349 0.5258
Mycobacterium tuberculosis Conserved protein 0.0036 0.036 0.0475
Loa Loa (eye worm) hypothetical protein 0.0055 0.0956 0.0918
Mycobacterium ulcerans glutaminase 0.0268 0.792 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.036 0.0172
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0961 0.0784
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.284 0.4184
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0989 1
Brugia malayi beta-lactamase family protein 0.0036 0.036 0.0403
Brugia malayi RNA binding protein 0.02 0.5696 0.7176
Mycobacterium ulcerans lipase LipD 0.0036 0.036 0.0403
Loa Loa (eye worm) glutathione reductase 0.0049 0.0783 0.0744
Schistosoma mansoni tar DNA-binding protein 0.02 0.5696 0.5611
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0845 0.0666
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0744 0.0563
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.036 0.2109
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0807 0.0627
Mycobacterium ulcerans beta-lactamase 0.0036 0.036 0.0403
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 0.2057
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0332 1 1
Schistosoma mansoni tar DNA-binding protein 0.02 0.5696 0.5611
Loa Loa (eye worm) glutaminase 0.0268 0.792 0.7912
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.1663 0.15
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0961 0.1166
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0807 0.1143
Brugia malayi TAR-binding protein 0.02 0.5696 0.7176
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.036 0.0475
Onchocerca volvulus 0.0036 0.036 0.4529
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.036 0.0454
Brugia malayi glutathione reductase 0.0049 0.0783 0.0941
Loa Loa (eye worm) TAR-binding protein 0.02 0.5696 0.5677
Plasmodium vivax importin-beta 2, putative 0.0031 0.0192 0.0968
Mycobacterium tuberculosis Conserved protein 0.0036 0.036 0.0475
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.1663 1
Trypanosoma brucei PAB1-binding protein , putative 0.0056 0.0989 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.036 0.0475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0845 0.0666
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.036 0.0454
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0989 0.5864
Mycobacterium tuberculosis Conserved protein 0.0036 0.036 0.0475
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0744 1
Loa Loa (eye worm) MBCTL1 0.0055 0.0961 0.0922
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0783 0.0744
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.036 0.0475
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.036 0.0172
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0783 0.46
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0744 0.0563
Loa Loa (eye worm) hypothetical protein 0.0036 0.036 0.0319
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 0.5
Trichomonas vaginalis esterase, putative 0.0036 0.036 0.0454
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 0.5
Trypanosoma brucei trypanothione reductase 0.0049 0.0783 0.7419
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0845 0.0666
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.036 0.0403
Mycobacterium tuberculosis Probable reductase 0.0112 0.284 0.4184
Plasmodium vivax glutathione reductase, putative 0.0049 0.0783 0.46
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0956 0.116
Entamoeba histolytica hypothetical protein 0.0038 0.0408 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.284 0.4184
Mycobacterium ulcerans hypothetical protein 0.0036 0.036 0.0403
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0845 0.0666
Schistosoma mansoni glutaminase 0.0268 0.792 0.788
Schistosoma mansoni hypothetical protein 0.0292 0.8697 0.8672
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.1663 0.5067
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.1663 0.15
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0989 0.5864
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0783 0.792
Loa Loa (eye worm) hypothetical protein 0.0056 0.0989 0.0951
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 0.2057
Leishmania major trypanothione reductase 0.0049 0.0783 0.792
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0961 0.0784
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0845 0.1019
Onchocerca volvulus 0.0036 0.036 0.4529
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0042 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.036 0.0319
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.1663 1
Brugia malayi beta-lactamase family protein 0.0036 0.036 0.0403
Brugia malayi hypothetical protein 0.0038 0.0408 0.0464
Mycobacterium leprae Probable lipase LipE 0.0036 0.036 0.1014
Echinococcus granulosus geminin 0.0171 0.4741 0.4638
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0807 0.2404
Brugia malayi glutaminase DH11.1 0.0268 0.792 1
Entamoeba histolytica hypothetical protein 0.0038 0.0408 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0408 0.022
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.036 0.0319
Brugia malayi mbt repeat family protein 0.0048 0.0744 0.0891
Echinococcus multilocularis geminin 0.0171 0.4741 0.4638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0845 0.0666
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0989 0.5864
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0845 0.0666
Schistosoma mansoni hypothetical protein 0.0038 0.0408 0.022
Leishmania major hypothetical protein, conserved 0.0056 0.0989 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0956 0.116
Plasmodium falciparum glutathione reductase 0.0049 0.0783 0.46
Trichomonas vaginalis glutaminase, putative 0.0268 0.792 1
Echinococcus multilocularis tar DNA binding protein 0.02 0.5696 0.5611
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.284 0.4184
Brugia malayi RNA, U transporter 1 0.0088 0.2061 0.2562
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.3249 0.4795
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0408 0.022
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.036 0.3639
Echinococcus granulosus tar DNA binding protein 0.02 0.5696 0.5611
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0961 0.0784
Schistosoma mansoni hypothetical protein 0.0332 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.036 0.0454
Entamoeba histolytica hypothetical protein 0.0038 0.0408 1
Brugia malayi hypothetical protein 0.0036 0.0347 0.0387
Loa Loa (eye worm) hypothetical protein 0.0036 0.036 0.0319
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0989 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.036 0.0172
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0783 0.0603
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0807 0.1143
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 1
Schistosoma mansoni tar DNA-binding protein 0.02 0.5696 0.5611
Loa Loa (eye worm) hypothetical protein 0.0036 0.036 0.0319
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.036 0.0172
Loa Loa (eye worm) hypothetical protein 0.0036 0.036 0.0319
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.036 0.0475
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.284 0.4184
Loa Loa (eye worm) hypothetical protein 0.0031 0.0192 0.015
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.1663 0.15
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.1663 0.5
Loa Loa (eye worm) glutaminase 2 0.0268 0.792 0.7912
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0961 0.0784
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0845 0.0806
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.036 0.0403
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0042 0.0426
Plasmodium falciparum importin beta, putative 0.0031 0.0192 0.0968
Toxoplasma gondii ABC1 family protein 0.0036 0.036 0.2
Brugia malayi RNA recognition motif domain containing protein 0.02 0.5696 0.7176
Schistosoma mansoni hypothetical protein 0.0171 0.4741 0.4638
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.6729 1
Toxoplasma gondii thioredoxin reductase 0.0049 0.0783 0.46
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.036 0.3639
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0961 0.0784
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0042 0.1033
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.5349 0.5258
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0042 0.0426
Schistosoma mansoni tar DNA-binding protein 0.02 0.5696 0.5611
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.036 0.0475
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.3249 0.4795
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0042 0.0426
Leishmania major hypothetical protein, conserved 0.0036 0.036 0.3639
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.036 0.0475
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0042 0.1033
Plasmodium vivax hypothetical protein, conserved 0.0036 0.036 0.2
Plasmodium falciparum thioredoxin reductase 0.0049 0.0783 0.46
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0807 0.0627
Onchocerca volvulus 0.0048 0.0744 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0042 0.0025
Schistosoma mansoni tar DNA-binding protein 0.02 0.5696 0.5611
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0408 0.022
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.3249 1
Brugia malayi beta-lactamase 0.0036 0.036 0.0403
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.284 0.8729
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.036 0.0454
Brugia malayi mbt repeat family protein 0.0048 0.0744 0.0891
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0783 0.1108
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.284 0.4184
Loa Loa (eye worm) RNA binding protein 0.02 0.5696 0.5677
Echinococcus multilocularis snurportin 1 0.0332 1 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0744 0.0563
Entamoeba histolytica hypothetical protein 0.0038 0.0408 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0744 0.0563
Onchocerca volvulus 0.0036 0.036 0.4529
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0744 0.0563
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0393 0.0446
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.1663 1
Brugia malayi Thioredoxin reductase 0.0049 0.0783 0.0941
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0192 0.0968
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.3249 0.4795
Loa Loa (eye worm) beta-lactamase 0.0036 0.036 0.0319
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0744 0.0705
Schistosoma mansoni hypothetical protein 0.0171 0.4741 0.4638
Brugia malayi Importin beta-1 subunit 0.0031 0.0192 0.019
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0783 0.0603
Loa Loa (eye worm) hypothetical protein 0.0036 0.036 0.0319
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0956 0.0918
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0845 0.0666
Brugia malayi hypothetical protein 0.0056 0.0989 0.1202
Loa Loa (eye worm) hypothetical protein 0.0055 0.0961 0.0922
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0989 0.5864
Loa Loa (eye worm) hypothetical protein 0.0037 0.0393 0.0353
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.036 0.0403
Schistosoma mansoni hypothetical protein 0.0037 0.0393 0.0206
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0744 0.0563
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.036 0.0454
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.036 0.0475
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0042 0.1033
Loa Loa (eye worm) hypothetical protein 0.0048 0.0744 0.0705

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.
 
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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