Detailed information for compound 1327787

Basic information

Technical information
  • TDR Targets ID: 1327787
  • Name: 2-{[(4-phenyl-1,3-thiazol-2-yl)methyl]thio}et hanohydrazide
  • MW: 279.381 | Formula: C12H13N3OS2
  • H donors: 2 H acceptors: 2 LogP: 1.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)CSCc1scc(n1)c1ccccc1
  • InChi: 1S/C12H13N3OS2/c13-15-11(16)7-17-8-12-14-10(6-18-12)9-4-2-1-3-5-9/h1-6H,7-8,13H2,(H,15,16)
  • InChiKey: KHVRWCSURNVFMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • KM 05922
  • SMR000459517
  • Oprea1_060019
  • ZINC01038674
  • SR-01000635329-1
  • MLS000860733

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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 beta LACTamase domain containing family member 0.0036 0.0848 0.054
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.2127 0.2443
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0848 0.5
Brugia malayi RNA binding protein 0.0063 0.2113 0.2432
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4635 0.5335
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.6049 0.6964
Mycobacterium leprae Probable lipase LipE 0.0036 0.0848 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.3877 0.4463
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8687 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0848 0.0976
Loa Loa (eye worm) hypothetical protein 0.0036 0.0848 0.0976
Schistosoma mansoni zinc finger protein 0.0039 0.0998 0.0699
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2113 0.2432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1272 0.1121
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.382 0.4397
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.2515 0.3042
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0118 0.472 0.6474
Schistosoma mansoni hypothetical protein 0.0046 0.1355 0.125
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0848 0.0766
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.1355 0.1317
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0821 0.0945
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.4635 0.5335
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.1273 0.1124
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1272 0.1189
Echinococcus granulosus lamin 0.0033 0.0708 0.0326
Schistosoma mansoni bromodomain containing protein 0.0125 0.5052 0.6959
Brugia malayi PHD-finger family protein 0.0049 0.1493 0.1719
Schistosoma mansoni hypothetical protein 0.0167 0.702 1
Echinococcus multilocularis lamin 0.0033 0.0708 0.0251
Echinococcus multilocularis GPCR, family 2 0.0046 0.1355 0.125
Echinococcus multilocularis musashi 0.0033 0.0708 0.0251
Schistosoma mansoni hypothetical protein 0.01 0.3877 0.5144
Schistosoma mansoni zinc finger protein 0.003 0.0602 0.0086
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.382 1
Echinococcus multilocularis geminin 0.0167 0.702 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2113 0.242
Echinococcus granulosus zinc finger protein 0.0039 0.0998 0.077
Loa Loa (eye worm) hypothetical protein 0.0036 0.0848 0.0976
Onchocerca volvulus 0.0033 0.0708 0.0172
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2113 0.2432
Schistosoma mansoni hypothetical protein 0.0046 0.1355 0.125
Schistosoma mansoni lamin 0.0033 0.0708 0.0251
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.2127 0.2443
Loa Loa (eye worm) hypothetical protein 0.0036 0.0848 0.0976
Leishmania major hypothetical protein, conserved 0.0036 0.0848 0.0766
Loa Loa (eye worm) hypothetical protein 0.0147 0.6049 0.6964
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Loa Loa (eye worm) RNA binding protein 0.0063 0.2113 0.2432
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0764 0.0337
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.1096 0.1262
Brugia malayi TAR-binding protein 0.0063 0.2113 0.2432
Giardia lamblia Kinase, PLK 0.0099 0.382 0.5
Echinococcus granulosus geminin 0.0167 0.702 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.2127 0.2443
Schistosoma mansoni intermediate filament proteins 0.0033 0.0708 0.0251
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0708 0.0816
Loa Loa (eye worm) hypothetical protein 0.0036 0.0848 0.0976
Brugia malayi Bromodomain containing protein 0.0076 0.2735 0.3148
Mycobacterium ulcerans beta-lactamase 0.0036 0.0848 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1272 0.1121
Echinococcus multilocularis zinc finger protein 0.0039 0.0998 0.0699
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2113 0.242
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0118 0.472 0.6446
Loa Loa (eye worm) hypothetical protein 0.0081 0.2961 0.3408
Brugia malayi Pre-SET motif family protein 0.0203 0.8687 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.382 1
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.1478 0.0689
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Toxoplasma gondii ABC1 family protein 0.0036 0.0848 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.382 0.5
Schistosoma mansoni hypothetical protein 0.003 0.0602 0.0086
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0848 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.1355 0.1317
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.6049 0.6964
Mycobacterium ulcerans lipase LipD 0.0036 0.0848 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2113 0.2432
Brugia malayi MH2 domain containing protein 0.0116 0.4635 0.5335
Loa Loa (eye worm) hypothetical protein 0.0084 0.3138 0.3612
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2113 0.242
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2113 0.242
Schistosoma mansoni kinase 0.005 0.1539 0.1534
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1272 0.1464
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0764 0.0337
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0708 0.0816
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0848 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0708 0.0816
Loa Loa (eye worm) hypothetical protein 0.0076 0.2741 0.3156
Echinococcus granulosus GPCR family 2 0.0046 0.1355 0.1317
Loa Loa (eye worm) hypothetical protein 0.0032 0.0681 0.0783
Brugia malayi Bromodomain containing protein 0.0148 0.6139 0.7066
Onchocerca volvulus 0.0036 0.0848 0.032
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.382 0.5056
Echinococcus granulosus lamin dm0 0.0033 0.0708 0.0326
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0764 0.0337
Onchocerca volvulus 0.0036 0.0848 0.032
Loa Loa (eye worm) hypothetical protein 0.01 0.3877 0.4463
Onchocerca volvulus 0.0033 0.0708 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2113 0.242
Loa Loa (eye worm) beta-lactamase 0.0036 0.0848 0.0976
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.2127 0.2501
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1272 0.1464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1272 0.1121
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.382 0.4397
Loa Loa (eye worm) hypothetical protein 0.0063 0.2127 0.2449
Schistosoma mansoni hypothetical protein 0.0046 0.1355 0.125
Schistosoma mansoni hypothetical protein 0.0046 0.1355 0.125
Schistosoma mansoni hypothetical protein 0.0041 0.1096 0.085
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0848 0.0976
Loa Loa (eye worm) hypothetical protein 0.0036 0.0848 0.0976
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2113 0.242
Onchocerca volvulus 0.0036 0.0848 0.032
Echinococcus granulosus tar DNA binding protein 0.0063 0.2113 0.2478
Brugia malayi beta-lactamase 0.0036 0.0848 0.0976
Loa Loa (eye worm) hypothetical protein 0.0046 0.1355 0.156
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.1478 0.0689
Loa Loa (eye worm) hypothetical protein 0.014 0.5742 0.661
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.1355 0.125
Brugia malayi beta-lactamase family protein 0.0036 0.0848 0.0976
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.382 0.3463
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.1355 0.156
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Trypanosoma brucei polo-like protein kinase 0.0099 0.382 1
Brugia malayi beta-lactamase family protein 0.0036 0.0848 0.0976
Echinococcus multilocularis lamin dm0 0.0033 0.0708 0.0251
Loa Loa (eye worm) hypothetical protein 0.0036 0.0848 0.0976
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.382 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.6049 0.6964
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.9822 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.1355 0.156
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0764 0.0412
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.382 0.5056
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0848 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1272 0.1121
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1272 0.1189
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0848 0.0467
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0848 0.0766
Loa Loa (eye worm) hypothetical protein 0.0033 0.0708 0.0816
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.1273 0.1192
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.2515 0.3095
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0848 0.0467
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0848 0.5
Mycobacterium ulcerans hypothetical protein 0.0036 0.0848 0.5
Brugia malayi Pre-SET motif family protein 0.0029 0.0546 0.0628
Brugia malayi intermediate filament protein 0.0033 0.0708 0.0816
Echinococcus granulosus intermediate filament protein 0.0033 0.0708 0.0326
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0848 0.0766
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.1273 0.1124
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.382 0.5094
Schistosoma mansoni lamin 0.0033 0.0708 0.0251
Brugia malayi Latrophilin receptor protein 2 0.0046 0.1355 0.156
Schistosoma mansoni hypothetical protein 0.0167 0.702 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.382 0.3247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1272 0.1121
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.1355 0.125

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 47.4436 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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