Detailed information for compound 874690

Basic information

Technical information
  • TDR Targets ID: 874690
  • Name: propan-2-yl 4-cyano-5-[(2,5-dichlorobenzoyl)a mino]-3-methylthiophene-2-carboxylate
  • MW: 397.276 | Formula: C17H14Cl2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 5.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(sc(c1C)C(=O)OC(C)C)NC(=O)c1cc(Cl)ccc1Cl
  • InChi: 1S/C17H14Cl2N2O3S/c1-8(2)24-17(23)14-9(3)12(7-20)16(25-14)21-15(22)11-6-10(18)4-5-13(11)19/h4-6,8H,1-3H3,(H,21,22)
  • InChiKey: SEROFXUJLNDFJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • isopropyl 4-cyano-5-[(2,5-dichlorobenzoyl)amino]-3-methyl-thiophene-2-carboxylate
  • 4-cyano-5-[[(2,5-dichlorophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid isopropyl ester
  • 4-cyano-5-[(2,5-dichlorobenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester
  • propan-2-yl 4-cyano-5-[(2,5-dichlorophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate
  • AK-968/11990036
  • ZINC00995677

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 tankyrase 0.0073 0.9986 1
Schistosoma mansoni ferritin 0.0009 0.1116 0.1105
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0001 0.0013 0.0097
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0001 0.0013 0.0097
Loa Loa (eye worm) hypothetical protein 0.0006 0.0757 0.0817
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.1116 0.5
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.001 0.1307 0.1423
Loa Loa (eye worm) hypothetical protein 0.001 0.1307 0.1423
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0757 0.5791
Plasmodium falciparum protein kinase, putative 0.0006 0.0757 0.5
Echinococcus granulosus expressed protein 0.0009 0.1116 0.1118
Brugia malayi Liprin-alpha 2 0.0006 0.0757 0.0768
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.1116 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0757 0.0817
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.001 0.1307 0.1309
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.1116 0.5
Giardia lamblia Kinase, NEK 0.0001 0.0013 0.5
Echinococcus multilocularis poly (ADP ribose) polymerase 0.001 0.1307 0.1309
Plasmodium falciparum tyrosine kinase-like protein 0.0006 0.0757 0.5
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Schistosoma mansoni ferritin 0.0009 0.1116 0.1105
Onchocerca volvulus 0.0006 0.0757 0.00000011832
Entamoeba histolytica hypothetical protein 0.001 0.1307 0.5
Trichomonas vaginalis protein phosphatase 1 regulatory subunit 12C, putative 0.0001 0.0013 0.0097
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.1116 0.5
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0006 0.0757 0.0768
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0006 0.0757 0.5791
Brugia malayi coiled-coil like protein 1 0.0006 0.0757 0.0768
Brugia malayi hypothetical protein 0.0006 0.0757 0.0768
Loa Loa (eye worm) hypothetical protein 0.0055 0.7519 0.8257
Schistosoma mansoni hypothetical protein 0.0006 0.0757 0.0745
Trichomonas vaginalis ankyrin, putative 0.0001 0.0013 0.0097
Brugia malayi Patatin-like phospholipase family protein 0.0001 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0006 0.0757 0.0745
Entamoeba histolytica hypothetical protein 0.001 0.1307 0.5
Echinococcus granulosus SAM domain containing protein 0.0006 0.0757 0.0758
Echinococcus granulosus liprin alpha 2 0.0006 0.0757 0.0758
Giardia lamblia Kinase, NEK 0.0001 0.0013 0.5
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.001 0.1307 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0757 0.0817
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0001 0.0014 0.0109
Echinococcus multilocularis liprin beta 1 0.0006 0.0757 0.0758
Echinococcus multilocularis SAM domain containing protein 0.0006 0.0757 0.0758
Trichomonas vaginalis ankyrin, putative 0.0001 0.0014 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Trichomonas vaginalis multiple ankyrin repeats single kh domain protein, putative 0.0001 0.0013 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Echinococcus granulosus poly adp ribose polymerase 2 0.001 0.1307 0.1309
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0014 0.0109
Loa Loa (eye worm) hypothetical protein 0.0006 0.0757 0.0817
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.1116 0.5
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0006 0.0757 0.0758
Echinococcus multilocularis expressed protein 0.0009 0.1116 0.1118
Echinococcus granulosus Ankyrin 0.0001 0.0013 0.0013
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Trichomonas vaginalis unc-44 ankyrins, putative 0.0001 0.0013 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0757 0.5791
Brugia malayi WGR domain containing protein 0.001 0.1307 0.1325
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Echinococcus granulosus stromal interaction molecule 1 0.0006 0.0757 0.0758
Trypanosoma brucei poly(adp-ribose) polymerase 0.001 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0757 0.5791
Echinococcus multilocularis liprin alpha 2 0.0006 0.0757 0.0758
Trichomonas vaginalis 2-5A-dependent ribonuclease, putative 0.0001 0.0013 0.0097
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.1116 0.5
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0006 0.0757 0.0817
Plasmodium vivax tyrosine kinase-like protein, putative 0.0006 0.0757 0.5
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.001 0.1307 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Brugia malayi Tnks protein 0.0072 0.9861 1
Echinococcus granulosus liprin beta 1 0.0006 0.0757 0.0758
Brugia malayi WGR domain containing protein 0.001 0.1307 0.1325
Schistosoma mansoni ferritin 0.0009 0.1116 0.1105
Onchocerca volvulus Tankyrase homolog 0.0065 0.8951 1
Schistosoma mansoni lip-related protein (liprin) alpha 0.0006 0.0757 0.0745
Brugia malayi hypothetical protein 0.0006 0.0757 0.0768
Echinococcus granulosus ferritin 0.0009 0.1116 0.1118
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Echinococcus granulosus poly ADP ribose polymerase 1 0.001 0.1307 0.1309
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0001 0.0013 0.0013
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.001 0.1307 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Schistosoma mansoni apoferritin-2 0.0009 0.1116 0.1105
Trichomonas vaginalis ion channel nompc, putative 0.0001 0.0013 0.0097
Schistosoma mansoni poly [ADP-ribose] polymerase 0.001 0.1307 0.1296
Trichomonas vaginalis ankyrin repeat and FYVE domain containing protein, putative 0.0001 0.0013 0.0097
Schistosoma mansoni poly [ADP-ribose] polymerase 0.001 0.1307 0.1296
Loa Loa (eye worm) tnks protein 0.0066 0.9103 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0757 0.5791
Echinococcus multilocularis tankyrase 0.0073 0.9986 1
Entamoeba histolytica zinc finger protein, putative 0.001 0.1307 0.5
Trichomonas vaginalis ferritin, putative 0.0009 0.1116 0.854
Brugia malayi Neurabin protein 1 0.0006 0.0757 0.0768
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0001 0.0013 0.0097
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0001 0.0013 0.0097
Schistosoma mansoni hypothetical protein 0.0006 0.0757 0.0745
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.1307 1
Schistosoma mansoni ferritin light chain 0.0009 0.1116 0.1105
Echinococcus multilocularis stromal interaction molecule 1 0.0006 0.0757 0.0758
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.1116 0.5
Trichomonas vaginalis unc-44 ankyrins, putative 0.0001 0.0013 0.0097
Entamoeba histolytica hypothetical protein 0.001 0.1307 0.5
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0001 0.0013 0.0013
Echinococcus multilocularis Ankyrin 0.0001 0.0014 0.0014
Schistosoma mansoni apoferritin-2 0.0009 0.1116 0.1105
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Schistosoma mansoni ferritin light chain 0.0009 0.1116 0.1105
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0006 0.0757 0.0745
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Entamoeba histolytica hypothetical protein 0.001 0.1307 0.5
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0006 0.0757 0.0758
Echinococcus granulosus Sterile alpha motif SAM 0.0006 0.0757 0.0758
Trichomonas vaginalis conserved hypothetical protein 0.001 0.1307 1
Leishmania major huntingtin interacting protein (HIP), putative 0.0001 0.0013 0.5
Echinococcus multilocularis ferritin 0.0009 0.1116 0.1118
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.001 0.1307 0.1309
Schistosoma mansoni sarm1 0.0006 0.0757 0.0745
Loa Loa (eye worm) hypothetical protein 0.0006 0.0757 0.0817
Schistosoma mansoni ferritin 0.0009 0.1116 0.1105
Schistosoma mansoni hypothetical protein 0.0006 0.0757 0.0745

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.