Detailed information for compound 824736

Basic information

Technical information
  • TDR Targets ID: 824736
  • Name: (7aR)-3-(4-fluorophenyl)-6-(4-methylphenyl)-3 ,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5, 7-dione
  • MW: 342.387 | Formula: C18H15FN2O2S
  • H donors: 0 H acceptors: 2 LogP: 3.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(SC2)c1ccc(cc1)F
  • InChi: 1S/C18H15FN2O2S/c1-11-2-8-14(9-3-11)20-16(22)15-10-24-17(21(15)18(20)23)12-4-6-13(19)7-5-12/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1
  • InChiKey: RLTVXCBLUAIWBM-MYJWUSKBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (7aR)-3-(4-fluorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c]thiazole-5,7-dione
  • (7aR)-3-(4-fluorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c]thiazole-5,7-quinone
  • NCGC00110818-01
  • A3679/0156054
  • C636-2452

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
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
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0824 0.4929 0.5403
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0182 0.0876 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0182 0.0876 0.9058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0178 0.2027
Brugia malayi hypothetical protein 0.0124 0.051 0.2033
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0178 0.1836
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0207 0.0827
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0387 0.2169 0.2265
Mycobacterium ulcerans lipoprotein LpqF 0.0511 0.2952 0.3155
Brugia malayi TAR-binding protein 0.0076 0.0207 0.0827
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0967 0.3856
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 1
Treponema pallidum penicillin-binding protein (pbp-2) 0.0952 0.5735 0.5388
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0095 0.1088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.2368
Loa Loa (eye worm) hypothetical protein 0.0072 0.0178 0.0708
Loa Loa (eye worm) hypothetical protein 0.0072 0.0178 0.0708
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.014 0.0606 0.0771
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.1065 0.6449 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0095 0.0985
Onchocerca volvulus 0.0114 0.0443 0.1139
Giardia lamblia Guanine phosphoribosyltransferase 0.0182 0.0876 0.5
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0857 0.5138 0.791
Schistosoma mansoni lozenge 0.0055 0.0073 0.0838
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0207 0.0827
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0387 0.2169 0.3176
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0178 0.2027
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0178 0.0708
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0178 0.031
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0967 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.2368
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0967 0.3856
Brugia malayi RNA binding protein 0.0076 0.0207 0.0827
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0163 0.0752 0.0916
Schistosoma mansoni alpha-glucosidase 0.0169 0.0794 0.9065
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0824 0.4929 0.855
Trichomonas vaginalis esterase, putative 0.0072 0.0178 0.031
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0207 0.0827
Onchocerca volvulus 0.0182 0.0876 0.2997
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0178 0.031
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0387 0.2169 0.3584
Loa Loa (eye worm) hypothetical protein 0.0072 0.0178 0.0708
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.029 0.1558 0.2201
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0178 0.0708
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0967 1
Chlamydia trachomatis transglycolase/transpeptidase 0.1527 0.9369 1
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0095 0.1088
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.0876 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0178 0.031
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0182 0.0876 0.0794
Loa Loa (eye worm) hypothetical protein 0.0072 0.0178 0.0708
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0511 0.2952 0.4993
Trichomonas vaginalis conserved hypothetical protein 0.0952 0.5735 1
Treponema pallidum penicillin-binding protein (pbp-1) 0.1527 0.9369 0.9318
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.0876 0.2966
Loa Loa (eye worm) hypothetical protein 0.0324 0.1772 0.7066
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.0876 1
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0407 0.2296 0.3378
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0511 0.2952 0.4424
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0178 0.1836
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0163 0.0752 0.1034
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.2368
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0178 0.031
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0095 0.0985
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0163 0.0752 0.0653
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0095 0.1088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0104 0.0417
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.0876 0.2966
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0095 0.0985
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1464 0.8972 1
Brugia malayi beta-lactamase family protein 0.0072 0.0178 0.0708
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0182 0.0876 0.9058
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.1065 0.6449 0.7131
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 1
Brugia malayi jmjC domain containing protein 0.0059 0.0095 0.038
Loa Loa (eye worm) beta-lactamase 0.0072 0.0178 0.0708
Toxoplasma gondii ABC1 family protein 0.0072 0.0178 0.2027
Loa Loa (eye worm) hypothetical protein 0.0441 0.2507 1
Brugia malayi beta-lactamase 0.0072 0.0178 0.0708
Leishmania major xanthine phosphoribosyltransferase 0.0182 0.0876 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1527 0.9369 0.5
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0824 0.4929 0.7576
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.2368
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0182 0.0876 0.9058
Echinococcus granulosus tar DNA binding protein 0.0076 0.0207 0.2145
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0178 0.2027
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0182 0.0876 0.9058
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0095 0.038
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0407 0.2296 0.3812
Brugia malayi hypothetical protein 0.0441 0.2507 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 1
Brugia malayi beta-lactamase family protein 0.0072 0.0178 0.0708
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.0876 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0458 0.262 0.3895
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.2368
Loa Loa (eye worm) hypothetical protein 0.006 0.0104 0.0417
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0182 0.0876 0.3493
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0095 0.0985
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0967 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0178 0.0708
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0857 0.5138 0.8926
Brugia malayi jmjC domain containing protein 0.0059 0.0095 0.038
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0178 0.031
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0952 0.5735 1
Onchocerca volvulus 0.0441 0.2507 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0794 0.9065
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0104 0.0417
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0857 0.5138 0.5641
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.014 0.0606 0.0683
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 0.2966
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0182 0.0876 0.1527
Loa Loa (eye worm) hypothetical protein 0.0072 0.0178 0.0708
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0952 0.5735 0.6319
Loa Loa (eye worm) runx1 0.0055 0.0073 0.0293
Leishmania major hypothetical protein, conserved 0.0072 0.0178 0.2027
Loa Loa (eye worm) RNA binding protein 0.0076 0.0207 0.0827
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0178 0.2027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0104 0.0417
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0178 0.0601
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.0876 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0207 0.2145
Echinococcus multilocularis Protein lozenge 0.0055 0.0073 0.0759
Loa Loa (eye worm) hypothetical protein 0.0441 0.2507 1
Trypanosoma brucei beta lactamase 0.0511 0.2952 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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

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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