Detailed information for compound 1737566

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 169.244 | Formula: C8H11NOS
  • H donors: 1 H acceptors: 1 LogP: 0.47 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cc(n2c1CSC2)C
  • InChi: 1S/C8H11NOS/c1-6-2-7(3-10)8-4-11-5-9(6)8/h2,10H,3-5H2,1H3
  • InChiKey: SHMCVLITYWMIJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0063 0.0127 0.0513
Brugia malayi celfurPC protein 0.1081 0.7995 0.798
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0063 0.0127 0.0051
Plasmodium falciparum subtilisin-like protease 2 0.0057 0.0079 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Onchocerca volvulus 0.0063 0.0127 0.0342
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0079 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Giardia lamblia Rab geranylgeranyltransferase 0.0184 0.1062 0.2889
Toxoplasma gondii subtilisin SUB11 0.0057 0.0079 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0814 0.5935 1
Loa Loa (eye worm) endoprotease bli-4 0.134 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Schistosoma mansoni hypothetical protein 0.0259 0.1641 0.1577
Loa Loa (eye worm) hypothetical protein 0.022 0.1334 0.1267
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0814 0.5935 0.7398
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Toxoplasma gondii subtilisin SUB7 0.0057 0.0079 0.0056
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0184 0.1062 0.0993
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0184 0.1062 1
Trypanosoma cruzi lanosterol synthase, putative 0.0062 0.0119 0.8453
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0184 0.1062 0.1682
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Schistosoma mansoni site-1 peptidase (S08 family) 0.0057 0.0079 0.0003
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0063 0.0127 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0063 0.0127 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0184 0.1062 0.0993
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Toxoplasma gondii subtilisin SUB8 0.0057 0.0079 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Giardia lamblia Furin precursor putative serine protease 0.0259 0.1641 0.4587
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0063 0.0127 0.0051
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0063 0.0127 0.0051
Toxoplasma gondii subtilisin SUB6 0.0057 0.0079 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Echinococcus multilocularis lysine specific histone demethylase 1A 0.022 0.1334 0.1588
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0317 0.2084 0.3427
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Brugia malayi amine oxidase, flavin-containing family protein 0.0063 0.0125 0.0049
Echinococcus granulosus furin 0.134 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0063 0.0127 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0062 0.0119 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0063 0.0127 1
Trichomonas vaginalis hypothetical protein 0.0259 0.1641 0.267
Loa Loa (eye worm) subtilase 0.0057 0.0079 0.0003
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0063 0.0127 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0121 0.0571 0.0844
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0127 1
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0057 0.0079 0.0003
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0259 0.1641 0.267
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0184 0.1062 0.0993
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0814 0.5935 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0057 0.0079 0.0003
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0063 0.0127 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0079 0.0005
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0814 0.5935 0.5904
Plasmodium falciparum subtilisin-like protease 1 0.0057 0.0079 0.0028
Loa Loa (eye worm) hypothetical protein 0.022 0.1334 0.1267
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0063 0.0127 0.0064
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0057 0.0079 0.0549
Toxoplasma gondii hypothetical protein 0.0063 0.0127 0.1023
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0259 0.1641 0.267
Giardia lamblia Rab geranylgeranyltransferase 0.0063 0.0127 0.0148
Brugia malayi neuroendocrine convertase 1 precursor 0.0842 0.6149 0.6119
Loa Loa (eye worm) hypothetical protein 0.0238 0.1478 0.1412
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0057 0.0079 0.0549
Schistosoma mansoni furin-1 (S08 family) 0.0583 0.4144 0.4099
Trypanosoma cruzi subtilisin peptidase 0.0057 0.0079 0.0549
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0184 0.1062 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0184 0.1062 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0057 0.0079 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0317 0.2084 0.2023
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Brugia malayi Subtilase family protein 0.0057 0.0079 0.0003
Mycobacterium leprae Possible secreted protease 0.0057 0.0079 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Loa Loa (eye worm) hypothetical protein 0.0063 0.0125 0.0049
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0057 0.0079 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0184 0.1062 0.1682
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0057 0.0079 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Toxoplasma gondii subtilisin SUB12 0.0057 0.0079 0.0056
Toxoplasma gondii subtilisin SUB9 0.0057 0.0079 0.0056
Plasmodium falciparum subtilisin-like protease 3 0.0057 0.0079 0.0028
Schistosoma mansoni site-1 peptidase (S08 family) 0.0057 0.0079 0.0003
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Loa Loa (eye worm) hypothetical protein 0.0526 0.3701 0.3653
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trypanosoma brucei hypothetical protein, conserved 0.0063 0.0127 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.1037 0.0967
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0063 0.0127 0.0513
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0057 0.0079 0.0549
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0317 0.2084 0.3427
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0184 0.1062 0.1244
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0057 0.0079 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Toxoplasma gondii hypothetical protein 0.0121 0.0571 1
Echinococcus multilocularis Furin 1 0.0317 0.2084 0.2535
Brugia malayi Myb-like DNA-binding domain containing protein 0.0176 0.0997 0.0927
Toxoplasma gondii subtilisin SUB2 0.0057 0.0079 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Loa Loa (eye worm) proprotein convertase 2 0.0317 0.2084 0.2023
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0127 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0063 0.0127 0.0086
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trypanosoma cruzi lanosterol synthase, putative 0.0062 0.0119 0.8453
Onchocerca volvulus 0.0238 0.1478 1
Toxoplasma gondii subtilisin SUB4 0.0057 0.0079 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Echinococcus granulosus lysine specific histone demethylase 1A 0.022 0.1334 0.1267
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0063 0.0127 0.0064
Toxoplasma gondii subtilisin SUB5 0.0057 0.0079 0.0056
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0063 0.0127 0.0051
Loa Loa (eye worm) hypothetical protein 0.0184 0.1062 0.0993
Echinococcus multilocularis neuroendocrine convertase 2 0.0842 0.6149 0.7668
Giardia lamblia High cysteine membrane protein Group 2 0.0498 0.3487 1
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0057 0.0079 0.5
Plasmodium vivax subtilisin-like serine protease, putative 0.0057 0.0079 0.0028
Echinococcus granulosus Furin 1 0.0317 0.2084 0.2023
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0063 0.0127 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0079 0.0005
Loa Loa (eye worm) hypothetical protein 0.0057 0.0079 0.0003
Loa Loa (eye worm) hypothetical protein 0.0176 0.0997 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Plasmodium vivax subtilisin-like protease 1 0.0057 0.0079 0.0028
Brugia malayi SWIRM domain containing protein 0.0238 0.1478 0.1412
Echinococcus multilocularis 0.1081 0.7995 1
Loa Loa (eye worm) hypothetical protein 0.134 1 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.022 0.1334 0.1267
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.134 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Echinococcus granulosus membrane bound transcription factor site 1 0.0057 0.0079 0.0003
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0063 0.0127 0.0051
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0057 0.0079 0.0003
Leishmania major subtilisin-like serine peptidase 0.0057 0.0079 0.6242
Echinococcus multilocularis membrane bound transcription factor site 1 0.0057 0.0079 0.0004
Brugia malayi proprotein convertase 2 0.0842 0.6149 0.6119
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0184 0.1062 0.1682
Plasmodium vivax subtilisin-like protease 2, putative 0.0057 0.0079 0.0028
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0057 0.0079 0.0004
Toxoplasma gondii subtilisin SUB1 0.0057 0.0079 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0259 0.1641 0.267
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0057 0.0079 0.0003
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0317 0.2084 0.3427
Toxoplasma gondii subtilisin SUB10 0.0057 0.0079 0.0056
Onchocerca volvulus CoRest homolog 0.0181 0.1037 0.6846
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0079 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0317 0.2084 0.3427
Trypanosoma brucei subtilisin peptidase 0.0057 0.0079 0.0549
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0317 0.2084 0.3427
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0079 0.0005
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0057 0.0079 0.0003
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0057 0.0079 0.0549
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0184 0.1062 0.0993
Trypanosoma brucei lanosterol synthase 0.0062 0.0119 0.8453
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0317 0.2084 0.3427
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Leishmania major farnesyltransferase beta subunit 0.0057 0.0077 0.6023
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Echinococcus granulosus neuroendocrine convertase 2 0.0842 0.6149 0.6119
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.1641 0.267
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0079 0.0005
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0063 0.0127 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 44.6 uM Cytotoxicity against human MCF7 cells after 96 hrs by MTT assay ChEMBL. 23313634

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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