Detailed information for compound 669956

Basic information

Technical information
  • TDR Targets ID: 669956
  • Name: ZINC01129860
  • MW: 373.466 | Formula: C20H23NO4S
  • H donors: 0 H acceptors: 2 LogP: 4.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1C(=O)S/C(=C/c2cc(OCC)c(c(c2)CC=C)OCC)/C1=O
  • InChi: 1S/C20H23NO4S/c1-5-9-15-11-14(12-16(24-7-3)18(15)25-8-4)13-17-19(22)21(10-6-2)20(23)26-17/h5-6,11-13H,1-2,7-10H2,3-4H3/b17-13+
  • InChiKey: DUYJTVAWPSBVSO-GHRIWEEISA-N  

Network

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Synonyms

  • STK155245

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
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0543 0.0018
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.1708 0.327
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0279 0.0285
Echinococcus granulosus thymidylate synthase 0.0106 0.1708 0.1247
Brugia malayi dihydrofolate reductase family protein 0.0212 0.4989 1
Schistosoma mansoni lipoxygenase 0.0092 0.1269 0.237
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0102 0.1582 0.3147
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0214 0.5028 0.5
Onchocerca volvulus 0.0106 0.1708 1
Schistosoma mansoni dihydrofolate reductase 0.0212 0.4989 1
Brugia malayi hypoxia-induced factor 1 0.0167 0.3597 0.7209
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0543 0.0039
Echinococcus granulosus CAAX prenyl protease 2 0.0102 0.1582 0.1115
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 0.0543 0.1089
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0141 0.0057
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.1708 0.3423
Loa Loa (eye worm) hypothetical protein 0.0102 0.1582 0.2973
Echinococcus granulosus dihydrofolate reductase 0.0212 0.4989 0.4711
Entamoeba histolytica CAAX prenyl protease family 0.0102 0.1582 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0526 0.1054
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0212 0.4989 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 0.0543 0.0882
Echinococcus multilocularis CAAX prenyl protease 2 0.0102 0.1582 0.1115
Echinococcus multilocularis dihydrofolate reductase 0.0212 0.4989 0.4711
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0526 0.0846
Echinococcus granulosus kinesin family 1 0.0199 0.4568 0.4267
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0214 0.5028 1
Loa Loa (eye worm) dihydrofolate reductase 0.0212 0.4989 1
Brugia malayi CAAX amino terminal protease family protein 0.0102 0.1582 0.3172
Echinococcus multilocularis thymidylate synthase 0.0106 0.1708 0.1247
Loa Loa (eye worm) hypoxia-induced factor 1 0.0167 0.3597 0.7128
Mycobacterium ulcerans thymidylate synthase 0.0106 0.1708 0.2648
Brugia malayi Cytochrome P450 family protein 0.0058 0.0239 0.0478
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0214 0.5028 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0131 0.2482 0.2064
Schistosoma mansoni hypothetical protein 0.0173 0.3773 0.7507
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 0.0543 0.1089
Giardia lamblia Hypothetical protein 0.0102 0.1582 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0214 0.5028 1
Schistosoma mansoni lipoxygenase 0.0131 0.2482 0.4858
Loa Loa (eye worm) hypothetical protein 0.0181 0.4029 0.8019
Brugia malayi PAS domain containing protein 0.0054 0.0113 0.0227
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 0.0543 0.0039
Echinococcus multilocularis kinesin family 1 0.0199 0.4568 0.4267
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0543 0.0039
Brugia malayi Dihydrofolate reductase 0.0212 0.4989 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0102 0.1582 0.3013
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0212 0.4989 1
Brugia malayi thymidylate synthase 0.0106 0.1708 0.3423
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0131 0.2482 0.2064
Loa Loa (eye worm) thymidylate synthase 0.0106 0.1708 0.3232
Chlamydia trachomatis dihydrofolate reductase 0.0212 0.4989 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0212 0.4989 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0102 0.1582 0.2347
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0102 0.1582 0.3147
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0239 0.0202
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0526 0.0846
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0102 0.1582 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0102 0.1582 0.3013
Brugia malayi hypothetical protein 0.0181 0.4029 0.8075
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0214 0.5028 1
Echinococcus multilocularis tumor protein p63 0.0375 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0214 0.5028 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0543 0.0018

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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