Detailed information for compound 1016196

Basic information

Technical information
  • TDR Targets ID: 1016196
  • Name: [(8bS)-8b-methyl-2,3a-dihydro-1H-furo[2,3-b][ 1]benzoxol-7-yl] N-(4-propan-2-ylphenyl)carba mate
  • MW: 353.412 | Formula: C21H23NO4
  • H donors: 1 H acceptors: 1 LogP: 4.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1ccc2c(c1)[C@]1(C)CCOC1O2)Nc1ccc(cc1)C(C)C
  • InChi: 1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(12-16)21(3)10-11-24-19(21)26-18/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,23)/t19?,21-/m0/s1
  • InChiKey: QIYIAVWWIGXXBQ-QWAKEFERSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(8bS)-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]benzofuran-7-yl] N-(4-isopropylphenyl)carbamate
  • N-(4-isopropylphenyl)carbamic acid [(8bS)-8b-methyl-2,3a-dihydro-1H-furo[2,3-b]benzofuran-7-yl] ester

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 Prenyltransferase and squalene oxidase repeat family protein 0.0537 0.215 0.1734
Brugia malayi dihydrofolate reductase family protein 0.0643 0.2619 0.2228
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.2316 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.063 0.2561 0.2167
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.2316 1 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0537 0.215 0.1586
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.063 0.2561 0.2167
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0617 0.2503 0.1965
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0537 0.215 0.2181
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0537 0.215 0.1586
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0537 0.215 0.1586
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0202 0.067 0.0176
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0617 0.2503 0.2106
Echinococcus multilocularis thymidylate synthase 0.1096 0.4616 0.4331
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.063 0.2561 0.2167
Trypanosoma cruzi lanosterol synthase, putative 0.0251 0.0889 0.0323
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0202 0.067 0.0176
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0537 0.215 0.2181
Trypanosoma brucei hypothetical protein, conserved 0.0617 0.2503 0.2702
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0617 0.2503 0.2106
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.3237 0.2879
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2316 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0521 0.2081 0.1512
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0617 0.2503 0.2702
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0537 0.215 0.1586
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0617 0.2503 0.2106
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.063 0.2561 0.2167
Loa Loa (eye worm) hypothetical protein 0.0202 0.067 0.0176
Schistosoma mansoni dihydrofolate reductase 0.0643 0.2619 0.2228
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1699 0.7277 0.7082
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0202 0.067 0.0176
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0537 0.215 0.1734
Leishmania major geranylgeranyltransferase, putative 0.0202 0.067 0.0899
Trypanosoma cruzi protein farnesyltransferase, putative 0.0537 0.215 0.2181
Plasmodium vivax prenyltransferase alpha subunit, putative 0.2316 1 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0617 0.2503 0.2702
Chlamydia trachomatis dihydrofolate reductase 0.0643 0.2619 0.5
Toxoplasma gondii hypothetical protein 0.1699 0.7277 0.9739
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0617 0.2503 0.2106
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0537 0.215 0.1586
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.063 0.2561 0.2167
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0617 0.2503 0.1965
Echinococcus granulosus dihydrofolate reductase 0.0643 0.2619 0.2228
Trypanosoma brucei lanosterol synthase 0.0251 0.0889 0.0323
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.2316 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0617 0.2503 0.2702
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1739 0.7455 1
Trypanosoma cruzi hypothetical protein, conserved 0.0617 0.2503 0.2702
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0617 0.2503 0.2702
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0537 0.215 0.1586
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2316 1 1
Brugia malayi hypothetical protein 0.0521 0.2081 0.1662
Leishmania major farnesyltransferase beta subunit 0.0537 0.215 0.2884
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0617 0.2503 0.2702
Onchocerca volvulus 0.1096 0.4616 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0617 0.2503 0.3358
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1096 0.4616 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.2316 1 1
Mycobacterium ulcerans thymidylate synthase 0.1096 0.4616 1
Giardia lamblia Rab geranylgeranyltransferase 0.2316 1 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0537 0.215 0.1734
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1096 0.4616 0.4331
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1739 0.7455 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0643 0.2619 0.4641
Trypanosoma cruzi protein farnesyltransferase, putative 0.0537 0.215 0.2181
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0521 0.2081 0.208
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0617 0.2503 0.2106
Mycobacterium tuberculosis Hypothetical protein 0.0521 0.2081 0.3198
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0617 0.2503 0.1965
Trypanosoma cruzi lanosterol synthase, putative 0.0251 0.0889 0.0323
Loa Loa (eye worm) hypothetical protein 0.0202 0.067 0.0176
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1739 0.7455 0.7272
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0537 0.215 0.1586
Giardia lamblia Rab geranylgeranyltransferase 0.0617 0.2503 0.1965
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0537 0.215 0.1586
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0617 0.2503 0.2106
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0617 0.2503 0.2702
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.063 0.2561 0.2167
Echinococcus granulosus thymidylate synthase 0.1096 0.4616 0.4331
Brugia malayi Dihydrofolate reductase 0.0643 0.2619 0.2228
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.063 0.2561 0.2027
Loa Loa (eye worm) hypothetical protein 0.2316 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0643 0.2619 0.2228
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.2316 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1739 0.7455 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1096 0.4616 1
Giardia lamblia Prenyltransferase 0.0537 0.215 0.1586
Loa Loa (eye worm) thymidylate synthase 0.1096 0.4616 0.4331
Trypanosoma cruzi hypothetical protein, conserved 0.0617 0.2503 0.2702
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0335 0.126 0.0632
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0537 0.215 0.1734
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0617 0.2503 0.2106
Echinococcus multilocularis dihydrofolate reductase 0.0643 0.2619 0.2228
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.2316 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.2316 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0537 0.215 0.1734
Toxoplasma gondii hypothetical protein 0.0617 0.2503 0.2702
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0617 0.2503 0.1965
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.063 0.2561 0.2027
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0537 0.215 0.1586
Brugia malayi thymidylate synthase 0.1096 0.4616 0.4331
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1739 0.7455 0.7272
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1739 0.7455 1

Activities

No activities found for this compound.

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.

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