Detailed information for compound 1345958

Basic information

Technical information
  • TDR Targets ID: 1345958
  • Name: 3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[2,3-b] quinazoline-8-carboxamide
  • MW: 335.38 | Formula: C18H13N3O2S
  • H donors: 1 H acceptors: 2 LogP: 2.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1csc2n1c(=O)c1c(n2)cc(cc1)C(=O)N
  • InChi: 1S/C18H13N3O2S/c1-10-2-4-11(5-3-10)15-9-24-18-20-14-8-12(16(19)22)6-7-13(14)17(23)21(15)18/h2-9H,1H3,(H2,19,22)
  • InChiKey: BQHMKUHKKQPGKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methylphenyl)-5-oxo-thiazolo[2,3-b]quinazoline-8-carboxamide
  • 3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide
  • 5-keto-3-(4-methylphenyl)thiazolo[2,3-b]quinazoline-8-carboxamide
  • 5-Oxo-3-p-tolyl-5H-thiazolo[2,3-b]quinazoline-8-carboxylic acid amide
  • MLS000888945
  • SMR000462390

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens phosphatidylinositol-5-phosphate 4-kinase, type II, alpha Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_131617 All targets in OG5_131617
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131617 All targets in OG5_131617
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pip kinase 2 Get druggable targets OG5_131617 All targets in OG5_131617
Brugia malayi Pip kinase protein 2 Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00889 1-phosphatidylinositol-4-phosphate 5-kinase [EC2.7.1.68], putative Get druggable targets OG5_131617 All targets in OG5_131617
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha phosphatidylinositol-5-phosphate 4-kinase, type II, alpha 406 aa 341 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0046 0.1254 0.125
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0639 0.0639
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.9539 0.9539
Echinococcus multilocularis peregrin 0.0038 0.0797 0.0797
Entamoeba histolytica hypothetical protein 0.004 0.09 0.5
Giardia lamblia PHD finger protein 15 0.0035 0.0639 0.5
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0038 0.0797 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0038 0.0797 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1412 0.1417
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.5065 0.5065
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0038 0.0797 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1091 0.1091
Toxoplasma gondii Erv1 / Alr family protein 0.0038 0.0797 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0038 0.0797 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1176 0.1176
Brugia malayi jmjC domain containing protein 0.0115 0.5065 0.5128
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.9539 0.9539
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0038 0.0797 0.0797
Loa Loa (eye worm) hypothetical protein 0.0196 0.9539 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.2916 0.2916
Loa Loa (eye worm) hypothetical protein 0.0052 0.1539 0.1551
Schistosoma mansoni hypothetical protein 0.0025 0.0071 0.0071
Brugia malayi jmjC domain containing protein 0.0045 0.1176 0.0893
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0198 0.0198
Entamoeba histolytica hypothetical protein 0.004 0.09 0.5
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0038 0.0797 1
Brugia malayi PHD-finger family protein 0.0035 0.0639 0.0308
Schistosoma mansoni hypothetical protein 0.0035 0.0639 0.0639
Brugia malayi Augmenter of liver regeneration 0.0038 0.0797 0.048
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1091 0.1091
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.9539 0.9539
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0639 0.0639
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.1176 0.1167
Schistosoma mansoni transcription factor LCR-F1 0.004 0.09 0.09
Loa Loa (eye worm) hypothetical protein 0.0085 0.3413 0.353
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0035 0.0639 0.06
Brugia malayi Bromodomain containing protein 0.0038 0.0797 0.048
Loa Loa (eye worm) pip kinase 2 0.0196 0.9539 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0038 0.0797 0.5
Leishmania major hypothetical protein, conserved 0.0038 0.0797 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.271 0.2788
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1048 0.1048
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1176 0.1176
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1401 0.1401
Brugia malayi Bromodomain containing protein 0.0091 0.3698 0.3639
Brugia malayi hypothetical protein 0.004 0.09 0.0592
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.5065 0.5065
Echinococcus granulosus peregrin 0.0038 0.0797 0.0797
Loa Loa (eye worm) hypothetical protein 0.006 0.2029 0.2068
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.9539 0.9539
Entamoeba histolytica hypothetical protein 0.004 0.09 0.5
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0038 0.0797 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0198 0.0198
Schistosoma mansoni hypothetical protein 0.0205 1 1
Brugia malayi Bromodomain containing protein 0.0046 0.1249 0.0973
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.1176 0.1176
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0639 0.06
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2677 0.2677
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1401 0.1401
Echinococcus multilocularis geminin 0.0205 1 1
Onchocerca volvulus 0.0196 0.9539 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0038 0.0797 0.0797
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0639 0.0639
Entamoeba histolytica hypothetical protein 0.004 0.09 0.5
Schistosoma mansoni hypothetical protein 0.004 0.09 0.09
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3755 0.3755
Brugia malayi Pip kinase protein 2 0.0196 0.9539 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2677 0.2677
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.09 0.09
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.09 0.09
Loa Loa (eye worm) hepatopoietin HPO2 0.0038 0.0797 0.0767

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2311 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of PI5P4K: Confirmation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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