Detailed information for compound 773910

Basic information

Technical information
  • TDR Targets ID: 773910
  • Name: tert-butyl N-(thiophene-2-carbonylamino)carba mate
  • MW: 242.295 | Formula: C10H14N2O3S
  • H donors: 2 H acceptors: 2 LogP: 2.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OC(C)(C)C)NNC(=O)c1cccs1
  • InChi: 1S/C10H14N2O3S/c1-10(2,3)15-9(14)12-11-8(13)7-5-4-6-16-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
  • InChiKey: JUGXKCUWRQWDKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[oxo-(2-thienyl)methyl]amino]carbamic acid tert-butyl ester
  • N-(thiophene-2-carbonylamino)carbamic acid tert-butyl ester
  • tert-butyl N-(thiophen-2-ylcarbonylamino)carbamate
  • MLS000724353
  • SMR000305947
  • tert-butyl 2-(thien-2-ylcarbonyl)hydrazinecarboxylate

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
Trichomonas vaginalis flap endonuclease-1, putative 0.0005 0.0093 0.0423
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.1048 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0139 0.6128 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.2194 0.3481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1954 0.8858
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1954 0.8907
Giardia lamblia hypothetical protein 0.0005 0.0093 0.0423
Echinococcus multilocularis exonuclease 1 0.0005 0.0093 0.0423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1954 0.8858
Brugia malayi XPG I-region family protein 0.0005 0.0093 0.0093
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.1048 0.4775
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1954 0.8858
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0139 0.6128 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1954 0.8907
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.2194 1
Plasmodium falciparum flap endonuclease 1 0.0027 0.1048 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.2194 1
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.2194 1
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0005 0.0093 0.0423
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0139 0.6128 1
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0005 0.0093 0.0423
Loa Loa (eye worm) hypothetical protein 0.0005 0.0093 0.0093
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.2194 0.2194
Onchocerca volvulus Dual oxidase homolog 0.0225 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0005 0.0093 0.0423
Giardia lamblia Exonuclease 1 0.0005 0.0093 0.0423
Entamoeba histolytica Flap nuclease, putative 0.0027 0.1048 0.6379
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1954 0.1954
Echinococcus granulosus flap endonuclease 1 0.0027 0.1048 0.4775
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.2194 0.3481
Loa Loa (eye worm) hypothetical protein 0.0086 0.3722 0.3722
Brugia malayi MAP kinase sur-1 0.0052 0.2194 0.2194
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.1048 0.1582
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.2194 0.3481
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.2194 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.2194 0.3481
Echinococcus multilocularis flap endonuclease 1 0.0027 0.1048 0.4775
Echinococcus granulosus exonuclease 1 0.0005 0.0093 0.0423
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.1048 0.4775
Trichomonas vaginalis flap endonuclease-1, putative 0.0005 0.0093 0.0423
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.2194 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.2194 0.3481
Trypanosoma brucei protein kinase, putative 0.0052 0.2194 0.3481
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.2194 0.3481
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0005 0.0093 0.0423
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.1048 0.1048
Entamoeba histolytica hypothetical protein 0.004 0.1642 1
Schistosoma mansoni flap endonuclease-1 0.0024 0.0932 0.3996
Entamoeba histolytica DNA-repair protein, putative 0.0005 0.0093 0.0566
Treponema pallidum hypothetical protein 0.004 0.1642 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0225 1 1
Plasmodium falciparum DNA repair protein RAD2, putative 0.0005 0.0093 0.0887
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.1048 0.1582
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.2194 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.2194 1
Entamoeba histolytica exonuclease, putative 0.0005 0.0093 0.0566
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.2194 0.3481
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.1048 0.4775
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0005 0.0093 0.0423
Loa Loa (eye worm) XPG I-region family protein 0.0005 0.0093 0.0093
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.1048 0.1582
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0005 0.0093 0.0423
Echinococcus multilocularis flap endonuclease GEN 1 0.0005 0.0093 0.0423
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.2194 1
Echinococcus granulosus flap endonuclease GEN 1 0.0005 0.0093 0.0423
Leishmania major ferric reductase, putative 0.0139 0.6128 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1954 0.1954
Loa Loa (eye worm) hypothetical protein 0.0005 0.0093 0.0093
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.2194 1
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.2194 1
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.2194 1
Trichomonas vaginalis exonuclease%2C+putative 0.0005 0.0093 0.0423
Entamoeba histolytica exonuclease, putative 0.0005 0.0093 0.0566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1954 0.8907
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0005 0.0093 0.0423
Plasmodium falciparum exonuclease I, putative 0.0005 0.0093 0.0887
Brugia malayi Flap endonuclease-1 0.0027 0.1048 0.1048
Trichomonas vaginalis flap endonuclease-1, putative 0.0005 0.0093 0.0423
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1954 0.8907

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 32.6294 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.