Detailed information for compound 1202447

Basic information

Technical information
  • TDR Targets ID: 1202447
  • Name: ZINC07355562
  • MW: 312.429 | Formula: C18H20N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1CCSc2c1cccc2)NCc1ccccc1C
  • InChi: 1S/C18H20N2OS/c1-14-6-2-3-7-15(14)12-19-18(21)13-20-10-11-22-17-9-5-4-8-16(17)20/h2-9H,10-13H2,1H3,(H,19,21)
  • InChiKey: WLCWABANOAOXDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • G658-0304
  • NCGC00132782-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
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 Importin beta-1 subunit 0.0032 0.028 0.028
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0498 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0232 0.3078
Giardia lamblia GTOR 0.0054 0.0752 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0155 0.206
Plasmodium vivax importin-beta 2, putative 0.0032 0.028 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0337 0.6658 0.6658
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0752 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0666 0.0666
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0752 0.0752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0587 0.78
Echinococcus granulosus lysosomal protective protein 0.0498 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0752 0.0752
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0752 0.0752
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0106 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.029 0.3855
Echinococcus granulosus importin subunit beta 1 0.0032 0.028 0.028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0231 0.3066
Schistosoma mansoni ran 0.0023 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0032 0.028 0.028
Leishmania major GTP-binding protein, putative 0.0023 0.0106 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0666 0.0666
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.028 0.028
Leishmania major importin beta-1 subunit, putative 0.0026 0.0155 0.0155
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0155 0.206
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Brugia malayi RNA, U transporter 1 0.009 0.1495 0.1495
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0448 0.8974 0.8974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0232 0.3078
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0866 0.0866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0231 0.3066
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0498 1 1
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0049 0.0646 0.0646
Echinococcus multilocularis tumor protein p63 0.0408 0.8131 0.8131
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0106 0.0106
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0666 0.0666
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0752 0.0752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0666 0.0666
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0521 0.6922
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0752 0.0752
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0156 0.0156
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0522 0.0522
Schistosoma mansoni importin beta-1 0.0032 0.028 0.028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0297 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Trichomonas vaginalis ran, putative 0.0023 0.0106 0.1403
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0752 0.0752
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0752 0.0752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0232 0.3078
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0498 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0521 0.6922
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0752 0.0752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.038 0.5047
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0752 1
Loa Loa (eye worm) hypothetical protein 0.0498 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0106 0.0106
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.028 0.028
Echinococcus multilocularis importin subunit beta 1 0.0032 0.028 0.028
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0498 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0522 0.0522
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0498 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0498 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0866 0.0866
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0448 0.8974 0.8974
Echinococcus granulosus snurportin 1 0.0337 0.6658 0.6658
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0752 0.0752
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0462 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0521 0.6922
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0155 0.206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0752 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0666 0.0666
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0752 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0106 0.0106
Echinococcus multilocularis snurportin 1 0.0337 0.6658 0.6658
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0498 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0106 0.0106
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0498 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0155 0.0155
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0498 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0498 1 1
Echinococcus multilocularis lysosomal protective protein 0.0498 1 1
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.028 0.488
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0666 0.0666
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0232 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.029 0.3855
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0666 0.0666
Schistosoma mansoni hypothetical protein 0.0337 0.6658 0.6658
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0666 0.0666
Schistosoma mansoni ran 0.0023 0.0106 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0462 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0355 0.4722
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0106 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0231 0.3066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0666 0.0666
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0522 0.0522
Echinococcus granulosus tumor protein p63 0.0408 0.8131 0.8131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0521 0.6922
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0752 1
Plasmodium falciparum importin beta, putative 0.0032 0.028 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0106 0.0106
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0752 0.0752
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0498 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0091 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0521 0.6922
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0752 0.0752
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0297 0.3945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0297 0.3945
Entamoeba histolytica hypothetical protein 0.0026 0.0155 0.0763

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2119 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) 16.4816 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.

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