Detailed information for compound 1308189

Basic information

Technical information
  • TDR Targets ID: 1308189
  • Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]c yclopentanecarboxamide
  • MW: 253.364 | Formula: C12H19N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1nnc(s1)NC(=O)C1CCCC1)C
  • InChi: 1S/C12H19N3OS/c1-8(2)7-10-14-15-12(17-10)13-11(16)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
  • InChiKey: JBBMEGWDDOVANX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-isobutyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
  • T5569682
  • ZINC07643093

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
Brugia malayi aryl-acylamidase 0.0015 0.0071 0.0093
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0348 0.1029
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0258 0.0258
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0348 0.0348
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0688 0.0688
Echinococcus multilocularis GPCR, family 2 0.0032 0.0267 0.0267
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0348 0.0995
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0693 0.1233
Loa Loa (eye worm) ammd protein 0.0015 0.0071 0.005
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0875 1 1
Echinococcus multilocularis cpg binding protein 0.0032 0.0268 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0688 0.0688
Onchocerca volvulus 0.0146 0.1589 0.5449
Schistosoma mansoni hypothetical protein 0.0282 0.3161 0.3161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0988 0.0988
Schistosoma mansoni hypothetical protein 0.0032 0.0267 0.0267
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0267 0.0267
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0267 0.0246
Onchocerca volvulus 0.0039 0.0348 0.0995
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0302 0.0302
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0279 0.0279
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0146 0.1589 0.1571
Schistosoma mansoni survival motor neuron protein 0.0099 0.1038 0.1038
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0348 0.0995
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0436 0.0436
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0328
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0348 0.1029
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0069 0.0693 0.0673
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0279 0.0279
Trichomonas vaginalis esterase, putative 0.0039 0.0348 0.0995
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0279 0.0279
Schistosoma mansoni hypothetical protein 0.0099 0.1038 0.1038
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0348 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0988 0.0988
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0875 1 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0267 0.0453
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0988 0.1772
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0436 0.0436
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0279 0.0279
Echinococcus multilocularis hormone sensitive lipase 0.0875 1 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0436 0.1311
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0348 0.0995
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.2764 1
Echinococcus granulosus GPCR family 2 0.0032 0.0267 0.0267
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0015 0.0071 0.0071
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0688 0.0688
Schistosoma mansoni cpg binding protein 0.0032 0.0268 0.0268
Onchocerca volvulus 0.0039 0.0348 0.0995
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0988 0.0988
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0988 0.0969
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0348 0.1029
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0436 0.0436
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0988 0.0988
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0348 1
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0688 0.1224
Mycobacterium ulcerans lipase LipD 0.0039 0.0348 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0348 0.0348
Brugia malayi Pre-SET motif family protein 0.0225 0.2499 0.4538
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0348 0.0328
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0436 0.0436
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0436 0.0416
Onchocerca volvulus 0.0046 0.0436 0.1311
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.051 0.051
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.2499 0.2483
Echinococcus granulosus tar DNA binding protein 0.0068 0.0688 0.0688
Brugia malayi TAR-binding protein 0.0068 0.0688 0.1224
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0348 0.0348
Brugia malayi mbt repeat family protein 0.0046 0.0436 0.0762
Brugia malayi CXXC zinc finger family protein 0.003 0.0248 0.0418
Brugia malayi hypothetical protein 0.0146 0.1589 0.2873
Mycobacterium ulcerans hypothetical protein 0.0039 0.0348 1
Onchocerca volvulus 0.003 0.0248 0.0636
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0267 0.0453
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0348 0.0995
Loa Loa (eye worm) hypothetical protein 0.0046 0.0436 0.0416
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0988 0.0988
Loa Loa (eye worm) aryl-acylamidase 0.0015 0.0071 0.005
Mycobacterium ulcerans beta-lactamase 0.0039 0.0348 1
Brugia malayi beta-lactamase 0.0039 0.0348 0.0601
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0436 0.0436
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0015 0.0071 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0021 0.0021
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0688 0.0669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0988 0.0988
Schistosoma mansoni cpg binding protein 0.0032 0.0268 0.0268
Echinococcus granulosus survival motor neuron protein 1 0.0483 0.5482 0.5482
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0279 0.4145
Toxoplasma gondii ABC1 family protein 0.0039 0.0348 0.5518
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0348 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0279 0.0279
Echinococcus granulosus cpg binding protein 0.0032 0.0268 0.0268
Schistosoma mansoni cpg binding protein 0.003 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0328
Brugia malayi mbt repeat family protein 0.0046 0.0436 0.0762
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0348 0.0348
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0348 0.1029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0348 0.0601
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.5
Brugia malayi hypothetical protein 0.0483 0.5482 1
Schistosoma mansoni hypothetical protein 0.0035 0.0302 0.0302
Brugia malayi RNA binding protein 0.0068 0.0688 0.1224
Brugia malayi hypothetical protein 0.0035 0.0302 0.0516
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.2014 0.2014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.106 0.1041
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0436 0.0436
Schistosoma mansoni hypothetical protein 0.0032 0.0267 0.0267
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0021 0.0021
Trichomonas vaginalis set domain proteins, putative 0.0256 0.2856 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0988 0.0988
Mycobacterium leprae Probable lipase LipE 0.0039 0.0348 1
Loa Loa (eye worm) MBCTL1 0.0053 0.051 0.049
Mycobacterium tuberculosis Conserved protein 0.0039 0.0348 0.1029
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0328
Echinococcus multilocularis survival motor neuron protein 1 0.0483 0.5482 0.5482
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.106 0.1905
Onchocerca volvulus 0.0256 0.2856 1
Brugia malayi beta-lactamase family protein 0.0039 0.0348 0.0601
Loa Loa (eye worm) RNA binding protein 0.0068 0.0688 0.0669
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0436 0.0436
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.051 0.051
Schistosoma mansoni hypothetical protein 0.0032 0.0267 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0348 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0688 0.0669
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0348 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0099 0.1038 0.1865
Onchocerca volvulus 0.0099 0.1038 0.3473
Loa Loa (eye worm) hypothetical protein 0.0033 0.0279 0.0258
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.2014 0.2014
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0328
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0688 0.0688
Loa Loa (eye worm) beta-lactamase 0.0039 0.0348 0.0328
Onchocerca volvulus 0.0039 0.0348 0.0995
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.106 0.1905
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0573 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0328
Schistosoma mansoni hypothetical protein 0.0069 0.0693 0.0693
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.051 0.051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0279 0.0279
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0302 0.0302
Brugia malayi beta-lactamase family protein 0.0039 0.0348 0.0601
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0652 0.0652
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0348 0.1029
Brugia malayi Pre-SET motif family protein 0.0033 0.0279 0.0475
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0279 0.0279
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0267 0.0267
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0348 0.1029
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.051 0.0898
Leishmania major hypothetical protein, conserved 0.0039 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0267 0.0246
Mycobacterium tuberculosis Conserved protein 0.0039 0.0348 0.1029
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0348 0.1029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0302 0.0302
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.051 0.051
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0348 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0348 0.0995
Mycobacterium tuberculosis Conserved protein 0.0039 0.0348 0.1029
Loa Loa (eye worm) hypothetical protein 0.0875 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0688 0.0688
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0348 1
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0688 0.0688
Loa Loa (eye worm) hypothetical protein 0.0483 0.5482 0.5472
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0248 0.0227
Loa Loa (eye worm) hypothetical protein 0.0101 0.106 0.1041
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0328
Schistosoma mansoni hypothetical protein 0.0032 0.0267 0.0267
Onchocerca volvulus 0.0033 0.0279 0.0747
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0875 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.051 0.049

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0418 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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