Detailed information for compound 1526386

Basic information

Technical information
  • TDR Targets ID: 1526386
  • Name: 1-[[5-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl) -1,3-thiazol-4-yl]1,2-oxazole-3-carbonyl]amin o]-3-phenylurea
  • MW: 440.499 | Formula: C19H16N6O3S2
  • H donors: 3 H acceptors: 5 LogP: 3.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1)NNC(=O)c1noc(c1c1csc(n1)c1csc(n1)C)C
  • InChi: 1S/C19H16N6O3S2/c1-10-15(13-8-30-18(22-13)14-9-29-11(2)20-14)16(25-28-10)17(26)23-24-19(27)21-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,23,26)(H2,21,24,27)
  • InChiKey: VWXPPWQVBYSGOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[5-methyl-4-[2-(2-methylthiazol-4-yl)thiazol-4-yl]isoxazole-3-carbonyl]amino]-3-phenyl-urea
  • 1-[[[5-methyl-4-[2-(2-methyl-4-thiazolyl)-4-thiazolyl]-3-isoxazolyl]-oxomethyl]amino]-3-phenylurea
  • 1-[[5-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,2-oxazol-3-yl]carbonylamino]-3-phenyl-urea
  • 2-({5-Methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]isoxazol-3-yl}carbonyl)-N-phenylhydrazine-1-carboxamide
  • MLS000834942
  • SMR000461458

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Tolloid protein 1 0.0634 0.1241 0.1241
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0955 0.3328 0.3328
Brugia malayi Trypsin family protein 0.0517 0.0479 0.0479
Echinococcus multilocularis tissue type plasminogen activator 0.198 1 1
Brugia malayi Muscle positioning protein 4 0.1526 0.7045 0.7045
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Leishmania major hypothetical protein, conserved 0.198 1 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0517 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Schistosoma mansoni hypothetical protein 0.0517 0.0479 0.0479
Echinococcus granulosus glycoprotein Antigen 5 0.0517 0.0479 0.0479
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0517 0.0479 0.0479
Brugia malayi Kringle domain containing protein 0.198 1 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0634 0.1241 0.1241
Onchocerca volvulus 0.198 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Onchocerca volvulus 0.1357 0.5944 0.574
Brugia malayi Trypsin family protein 0.0517 0.0479 0.0479
Plasmodium falciparum cysteine repeat modular protein 1 0.198 1 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.198 1 1
Echinococcus multilocularis transmembrane protease serine 3 0.0517 0.0479 0.0479
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0517 0.0479 0.0479
Echinococcus granulosus transmembrane protease serine 3 0.0517 0.0479 0.0479
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0517 0.0479 0.0479
Echinococcus multilocularis enteropeptidase 0.0517 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.198 1 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.198 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.069 0.1608 0.1608
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Brugia malayi hypothetical protein 0.0517 0.0479 0.0479
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0517 0.0479 0.0479
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Schistosoma mansoni hypothetical protein 0.0517 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.1357 0.5944 0.5944
Onchocerca volvulus 0.1357 0.5944 0.574
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Onchocerca volvulus 0.1357 0.5944 0.574
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0881 0.2849 0.2849
Loa Loa (eye worm) hypothetical protein 0.1526 0.7045 0.7045
Loa Loa (eye worm) hypothetical protein 0.069 0.1608 0.1608
Echinococcus granulosus enteropeptidase 0.0517 0.0479 0.0479
Echinococcus multilocularis glycoprotein Antigen 5 0.0517 0.0479 0.0479
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0517 0.0479 0.0479
Loa Loa (eye worm) trypsin family protein 0.0517 0.0479 0.0479
Echinococcus granulosus Mastin 0.0517 0.0479 0.0479
Mycobacterium ulcerans hypothetical protein 0.0517 0.0479 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0708 0.172 0.172
Onchocerca volvulus 0.1526 0.7045 0.6896
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0517 0.0479 0.0479
Schistosoma mansoni hypothetical protein 0.198 1 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0634 0.1241 0.1241
Brugia malayi Trypsin family protein 0.0517 0.0479 0.0479
Schistosoma mansoni hypothetical protein 0.1357 0.5944 0.5944
Echinococcus granulosus Tolloid protein 1 0.0634 0.1241 0.1241
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Echinococcus granulosus tissue type plasminogen activator 0.198 1 1
Brugia malayi SEA domain containing protein 0.1357 0.5944 0.5944
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0517 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Loa Loa (eye worm) DOMON domain-containing protein 0.1357 0.5944 0.5944
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0517 0.0479 0.0479
Onchocerca volvulus Arrow homolog 0.069 0.1608 0.1186
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.069 0.1608 0.1608
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0517 0.0479 0.0479
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0517 0.0479 0.0479
Toxoplasma gondii kringle domain-containing protein 0.198 1 1
Onchocerca volvulus 0.1357 0.5944 0.574
Loa Loa (eye worm) hypothetical protein 0.0517 0.0479 0.0479
Echinococcus multilocularis Mastin 0.0517 0.0479 0.0479
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Trypanosoma cruzi hypothetical protein, conserved 0.198 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0634 0.1241 0.1241
Schistosoma mansoni cercarial elastase (S01 family) 0.0517 0.0479 0.0479
Brugia malayi Trypsin-like protease protein 5 0.0517 0.0479 0.0479
Brugia malayi Trypsin family protein 0.0517 0.0479 0.0479

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 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) 29.081 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) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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