Detailed information for compound 1487625

Basic information

Technical information
  • TDR Targets ID: 1487625
  • Name: N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiop hene-2-carboxamide
  • MW: 330.401 | Formula: C17H18N2O3S
  • H donors: 2 H acceptors: 2 LogP: 2.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)NC(=O)c1cccs1)NCC1CCCO1
  • InChi: 1S/C17H18N2O3S/c20-16(18-11-14-6-2-8-22-14)12-4-1-5-13(10-12)19-17(21)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)(H,19,21)
  • InChiKey: RRSSJLJDXUEZIB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
  • N-[3-[oxo-(2-tetrahydrofuranylmethylamino)methyl]phenyl]-2-thiophenecarboxamide
  • N-[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiophene-2-carboxamide
  • BAS 01373797
  • SMR000283493
  • Oprea1_373450
  • MLS000687463
  • AK-918/13161113

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Plasmodium falciparum subtilisin-like protease 2 0.0377 0 0.5
Brugia malayi proprotein convertase 2 0.5536 0.6118 0.6118
Giardia lamblia High cysteine membrane protein Group 2 0.3274 0.3435 1
Leishmania major subtilisin-like serine peptidase 0.0377 0 0.5
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0377 0 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0377 0 0.5
Mycobacterium leprae Possible secreted protease 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB2 0.0377 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.5354 0.5903 0.5903
Toxoplasma gondii subtilisin SUB10 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB11 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB1 0.0377 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Plasmodium vivax subtilisin-like protease 2, putative 0.0377 0 0.5
Echinococcus granulosus Furin 1 0.2081 0.2021 0.2021
Trichomonas vaginalis hypothetical protein 0.1704 0.1574 0.2667
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Loa Loa (eye worm) hypothetical protein 0.3455 0.3651 0.3651
Echinococcus multilocularis 0.7106 0.7979 1
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Echinococcus multilocularis Furin 1 0.2081 0.2021 0.2532
Toxoplasma gondii subtilisin SUB5 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB12 0.0377 0 0.5
Plasmodium falciparum subtilisin-like protease 1 0.0377 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Plasmodium vivax subtilisin-like protease 1 0.0377 0 0.5
Loa Loa (eye worm) proprotein convertase 2 0.2081 0.2021 0.2021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.5354 0.5903 1
Toxoplasma gondii subtilisin SUB7 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB9 0.0377 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.881 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2081 0.2021 0.3423
Plasmodium vivax subtilisin-like serine protease, putative 0.0377 0 0.5
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0377 0 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0377 0 0.5
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0377 0 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.2081 0.2021 0.2021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2081 0.2021 0.3423
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2081 0.2021 0.3423
Plasmodium falciparum subtilisin-like protease 3 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB4 0.0377 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2081 0.2021 0.3423
Schistosoma mansoni furin-1 (S08 family) 0.3832 0.4097 0.4097
Brugia malayi neuroendocrine convertase 1 precursor 0.5536 0.6118 0.6118
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.1704 0.1574 0.2667
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.1704 0.1574 0.2667
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Toxoplasma gondii subtilisin SUB6 0.0377 0 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0377 0 0.5
Echinococcus granulosus furin 0.881 1 1
Trypanosoma cruzi subtilisin peptidase 0.0377 0 0.5
Toxoplasma gondii subtilisin SUB8 0.0377 0 0.5
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0377 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0377 0 0.5
Echinococcus granulosus neuroendocrine convertase 2 0.5536 0.6118 0.6118
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.5354 0.5903 1
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0377 0 0.5
Loa Loa (eye worm) hypothetical protein 0.881 1 1
Brugia malayi celfurPC protein 0.7106 0.7979 0.7979
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2081 0.2021 0.3423
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0377 0 0.5
Trypanosoma brucei subtilisin peptidase 0.0377 0 0.5
Loa Loa (eye worm) endoprotease bli-4 0.881 1 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0377 0 0.5
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.1704 0.1574 0.2667
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0377 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1704 0.1574 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2081 0.2021 0.3423
Echinococcus multilocularis neuroendocrine convertase 2 0.5536 0.6118 0.7668
Schistosoma mansoni hypothetical protein 0.1704 0.1574 0.1574
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.5354 0.5903 0.7397
Onchocerca volvulus 0.0377 0 0.5
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0377 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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
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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