Detailed information for compound 1205477

Basic information

Technical information
  • TDR Targets ID: 1205477
  • Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-m ethoxyphenyl)acetamide
  • MW: 333.409 | Formula: C15H19N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)CSc1nnnn1C1CCCC1
  • InChi: 1S/C15H19N5O2S/c1-22-13-8-4-5-11(9-13)16-14(21)10-23-15-17-18-19-20(15)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,21)
  • InChiKey: GUKPAINEAJDJTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(1-cyclopentyl-5-tetrazolyl)thio]-N-(3-methoxyphenyl)acetamide
  • 2-[(1-cyclopentyltetrazol-5-yl)thio]-N-(3-methoxyphenyl)acetamide
  • 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide
  • ZINC01238095
  • 2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(3-methoxy-phenyl)-acetamide
  • ASN 07870530

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi beta-lactamase family protein 0.0035 0.0495 0.1763
Schistosoma mansoni hypothetical protein 0.0108 0.281 0.281
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0495 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.4464
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.111 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.4297 0.6705
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0495 0.057
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1233 0.1941
Onchocerca volvulus 0.0035 0.0495 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0449 0.4047
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0495 0.0773
Mycobacterium leprae Probable lipase LipE 0.0035 0.0495 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0903 0.0903
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.4464
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1233 0.1941
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.87 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0495 0.057
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0495 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0495 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0449 0.0449
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0495 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0903 0.0903
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0936 0.3329
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0495 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1233 0.1233
Schistosoma mansoni hypothetical protein 0.0336 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.38 0.4368
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.87 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0903 0.0903
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0495 0.0773
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0992 0.114
Loa Loa (eye worm) beta-lactamase 0.0035 0.0495 0.4464
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1233 0.1924
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.87 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0903 0.8132
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0108 0.281 0.281
Toxoplasma gondii hypothetical protein 0.0048 0.0898 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.4464
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0706 0.0811
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0495 0.1763
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.4464
Mycobacterium tuberculosis Conserved protein 0.0035 0.0495 0.0773
Brugia malayi hypothetical protein 0.0108 0.281 1
Brugia malayi beta-lactamase family protein 0.0035 0.0495 0.1763
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0495 0.0773
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.4464
Schistosoma mansoni hypothetical protein 0.0336 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0495 0.0773
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.87 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0495 0.4464
Onchocerca volvulus 0.0035 0.0495 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.0495 0.0773
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0 0.5
Toxoplasma gondii ABC1 family protein 0.0035 0.0495 0.5516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0903 0.0903
Entamoeba histolytica hypothetical protein 0.0108 0.281 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0495 0.0773
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.4464
Loa Loa (eye worm) hypothetical protein 0.0049 0.0936 0.843
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0936 0.3329
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1233 0.4388
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.38 0.4368
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0495 0.057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0903 0.0903
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0706 0.0811
Entamoeba histolytica hypothetical protein 0.0108 0.281 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0706 0.0811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0903 0.0903
Mycobacterium ulcerans hypothetical protein 0.0155 0.4297 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0495 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0495 0.0495
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0903 0.3211
Echinococcus multilocularis geminin 0.0336 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1233 0.1418
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.1233 0.1233
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.38 0.4368
Entamoeba histolytica hypothetical protein 0.0108 0.281 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0706 0.0811
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0495 0.0495
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.6409 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0903 0.0903
Leishmania major hypothetical protein, conserved 0.0035 0.0495 0.057
Mycobacterium tuberculosis Conserved protein 0.0035 0.0495 0.0773
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0495 0.0773
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0449 0.1598
Schistosoma mansoni transcription factor LCR-F1 0.0108 0.281 0.281
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0495 0.0773
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1233 0.1233
Onchocerca volvulus 0.0035 0.0495 0.5
Brugia malayi beta-lactamase 0.0035 0.0495 0.1763
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0108 0.281 0.281
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0495 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0495 0.0495
Entamoeba histolytica hypothetical protein 0.0108 0.281 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0936 0.843
Trichomonas vaginalis esterase, putative 0.0035 0.0495 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0596 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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