Detailed information for compound 1553887

Basic information

Technical information
  • TDR Targets ID: 1553887
  • Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-d ]pyrazol-3-yl)cyclopropanecarboxamide
  • MW: 317.363 | Formula: C15H15N3O3S
  • H donors: 1 H acceptors: 4 LogP: 0.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1)Nc1c2CS(=O)(=O)Cc2nn1c1ccccc1
  • InChi: 1S/C15H15N3O3S/c19-15(10-6-7-10)16-14-12-8-22(20,21)9-13(12)17-18(14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,19)
  • InChiKey: JAGJPWFDNVRXMG-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(5,5-diketo-2-phenyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)cyclopropanecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 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
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 0.0021 0.0158 0.0126
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0228 0.0196
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0086 0.0053
Plasmodium vivax aldehyde reductase, putative 0.0296 0.2862 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0228 0.0196
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0228 0.0196
Trichomonas vaginalis aldo-keto reductase, putative 0.0296 0.2862 0.2843
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0586 0.0555
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0296 0.2862 0.2839
Schistosoma mansoni hypothetical protein 0.0201 0.1927 0.1927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0485 0.0485
Echinococcus multilocularis aldo keto reductase 0.1023 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0296 0.2862 0.2843
Echinococcus multilocularis cpg binding protein 0.0036 0.0306 0.0274
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1023 1 1
Onchocerca volvulus 0.1023 1 1
Onchocerca volvulus 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.0126
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0158 0.0443
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0296 0.2862 0.2839
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0228 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0296 0.2862 0.2843
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.0126
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0228 0.0196
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0251 0.0218
Schistosoma mansoni microtubule-associated protein tau 0.0819 0.7995 0.7995
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0033 0.0011
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0228 0.0196
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0228 0.0207
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0296 0.2862 0.2839
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0147 0.0126
Plasmodium falciparum aldehyde reductase, putative 0.0296 0.2862 1
Schistosoma mansoni hypothetical protein 0.0201 0.1927 0.1927
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0819 0.7995 0.7989
Toxoplasma gondii aldose reductase, putative 0.1023 1 1
Echinococcus granulosus microtubule associated protein 2 0.0819 0.7995 0.7989
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.0662 0.0662
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0963 0.9404 0.9402
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.0126
Plasmodium falciparum aldo-keto reductase, putative 0.0296 0.2862 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0056 0.0023
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0296 0.2862 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1023 1 1
Echinococcus granulosus aldo keto reductase 0.1023 1 1
Onchocerca volvulus 0.1023 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Echinococcus multilocularis aldo keto reductase 0.1023 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1023 1 1
Onchocerca volvulus 0.0179 0.1713 0.1686
Echinococcus granulosus aldo keto reductase 0.1023 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1023 1 1
Onchocerca volvulus 0.1023 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0228 0.0196
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0228 0.0196
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0251 0.077
Loa Loa (eye worm) oxidoreductase 0.1023 1 1
Echinococcus granulosus hypothetical protein 0.1023 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0296 0.2862 0.2839
Schistosoma mansoni hypothetical protein 0.0014 0.0086 0.0086
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0296 0.2862 0.2839
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0035 0.0002
Mycobacterium ulcerans hypothetical protein 0.0028 0.0228 0.0196
Brugia malayi hypothetical protein 0.0179 0.1713 0.1686
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Brugia malayi CXXC zinc finger family protein 0.0034 0.0287 0.0254
Onchocerca volvulus 0.1023 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Giardia lamblia Aldose reductase 0.1023 1 0.5
Mycobacterium tuberculosis Conserved protein 0.0296 0.2862 0.2847
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.1023 1 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0033 0.0011
Loa Loa (eye worm) hypothetical protein 0.0179 0.1713 0.1686
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0228 0.0196
Echinococcus granulosus dnaJ subfamily B 0.0486 0.4719 0.4702
Trypanosoma cruzi aldo/keto reductase, putative 0.0296 0.2862 0.2839
Echinococcus multilocularis dnaJ subfamily B 0.0486 0.4719 0.4702
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0251 0.0218
Trichomonas vaginalis aldo/keto reductase, putative 0.1023 1 1
Schistosoma mansoni cpg binding protein 0.0036 0.0306 0.0306
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0033 0.0033
Entamoeba histolytica aldose reductase, putative 0.1023 1 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0033 0.0011
Schistosoma mansoni aldo-keto reductase 0.1023 1 1
Trypanosoma brucei prostaglandin f synthase 0.1023 1 1
Schistosoma mansoni hypothetical protein 0.0486 0.4719 0.4719
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0033 0.0011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0147 0.0126
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0228 0.0196
Brugia malayi NADH-dependent xylose reductase 0.0296 0.2862 0.2839
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0054 0.0021
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0035 0.0002
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1023 1 1
Entamoeba histolytica aldose reductase, putative 0.1023 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0228 0.0196
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0228 0.0196
Schistosoma mansoni potassium channel beta 0.0296 0.2862 0.2862
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0485 0.0454
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Echinococcus multilocularis aldehyde reductase 0.0727 0.709 0.708
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0033 0.0011
Onchocerca volvulus 0.0028 0.0228 0.0196
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0251 0.077
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1023 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1023 1 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0033 0.0011
Echinococcus granulosus voltage gated potassium channel subunit 0.0296 0.2862 0.2839
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0296 0.2862 0.2839
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0147 0.0126
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Loa Loa (eye worm) oxidoreductase 0.1023 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0296 0.2862 0.2839
Schistosoma mansoni cpg binding protein 0.0036 0.0306 0.0306
Brugia malayi hypothetical protein 0.002 0.0145 0.0112
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0228 0.0196
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0033 0.0011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0485 0.0454
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Toxoplasma gondii aldo-keto reductase 0.0296 0.2862 0.2839
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0035 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0485 0.0454
Onchocerca volvulus 0.0296 0.2862 0.2839
Mycobacterium tuberculosis Probable oxidoreductase 0.1023 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0251 0.0218
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0056 0.0023
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0251 0.0218
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0296 0.2862 0.2839
Entamoeba histolytica aldose reductase, putative 0.1023 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0485 0.0485
Trichomonas vaginalis aldo-keto reductase, putative 0.0296 0.2862 0.2843
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Echinococcus multilocularis aldo keto reductase 0.1023 1 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0035 0.0002
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1023 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0033 0.0011
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0228 0.0196
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0485 0.0454
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0485 0.0454
Echinococcus multilocularis geminin 0.0201 0.1927 0.19
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1023 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0158 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0147 0.0126
Leishmania major aldo-keto reductase-like protein 0.1023 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0485 0.0454
Echinococcus granulosus aldehyde reductase 0.0727 0.709 0.708
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0485 0.0485
Echinococcus granulosus aldo keto reductase 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.0218
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0296 0.2862 0.2843
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0228 0.0196
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0033 0.0005
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.0126
Loa Loa (eye worm) oxidoreductase 0.1023 1 1
Echinococcus granulosus geminin 0.0201 0.1927 0.19
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0033 0.0011
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0158 0.0137
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0086 0.0053
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0158 0.0443
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0033 0.0011
Onchocerca volvulus 0.0034 0.0287 0.0254
Mycobacterium ulcerans oxidoreductase 0.1023 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0228 0.0196
Schistosoma mansoni cpg binding protein 0.0034 0.0287 0.0287
Schistosoma mansoni pol-related 0.1023 1 1
Mycobacterium leprae Possible oxidoreductase 0.0296 0.2862 0.2839
Loa Loa (eye worm) hypothetical protein 0.0028 0.0228 0.0196
Echinococcus multilocularis aldo keto reductase 0.1023 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0056 0.0023
Mycobacterium leprae Conserved hypothetical protein 0.0727 0.709 0.708
Onchocerca volvulus 0.1023 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1023 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1023 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0251 0.077
Entamoeba histolytica alcohol dehydrogenase, putative 0.0296 0.2862 0.2839
Brugia malayi hypothetical protein 0.003 0.0251 0.0218
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0296 0.2862 0.2839
Trypanosoma brucei aldo-keto reductase, putative 0.1023 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0035 0.0002
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0033 0.0005
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0158 0.0126
Echinococcus granulosus cpg binding protein 0.0036 0.0306 0.0274
Trypanosoma cruzi aldo/keto reductase, putative 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0228 0.0196
Leishmania major hypothetical protein, conserved 0.003 0.0251 0.0218
Giardia lamblia Aldose reductase 0.1023 1 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0287 0.0254
Loa Loa (eye worm) oxidoreductase 0.1023 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1023 1 1
Schistosoma mansoni aldo-keto reductase 0.1023 1 1
Trypanosoma cruzi aldo-keto reductase 0.1023 1 1
Loa Loa (eye worm) oxidoreductase 0.1023 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1023 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0228 0.0196
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0033 0.0011
Mycobacterium ulcerans hypothetical protein 0.0296 0.2862 0.2839
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0228 0.0196
Trichomonas vaginalis aldo-keto reductase, putative 0.1023 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0228 0.0196
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0228 0.0207
Leishmania major prostaglandin f synthase, putative 0.1023 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0891 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2512 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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