Detailed information for compound 546816

Basic information

Technical information
  • TDR Targets ID: 546816
  • Name: 2-(2-methylthiazol-4-yl)benzo[f]chromen-3-one
  • MW: 293.34 | Formula: C17H11NO2S
  • H donors: 0 H acceptors: 2 LogP: 4.26 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
  • InChi: 1S/C17H11NO2S/c1-10-18-15(9-21-10)14-8-13-12-5-3-2-4-11(12)6-7-16(13)20-17(14)19/h2-9H,1H3
  • InChiKey: VNMJQBLLODGGKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-methyl-4-thiazolyl)-3-benzo[f][1]benzopyranone
  • 2-(2-methyl-1,3-thiazol-4-yl)benzo[f]chromen-3-one
  • 2-(2-methyl-4-thiazolyl)-3-benzo[f]chromenone
  • Oprea1_184663
  • EU-0033985
  • 2-(2-Methyl-1,3-thiazol-4-yl)-3H-benzo[f]chromen-3-one
  • AIDS-149725
  • AIDS149725
  • NSC684987
  • ZINC00175818
  • STOCK1S-23697
  • 2-(2-Methyl-thiazol-4-yl)-benzo[f]chromen-3-one
  • BAS 01020226
  • NCI60_030568
  • Oprea1_341250

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
Echinococcus multilocularis chromobox protein 1 0.0078 0.0167 0.0159
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0253 0.0123
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.021 0.0202
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0637 0.2161 1
Brugia malayi chromobox protein homolog 3 0.0044 0.0045 0.0037
Brugia malayi Melibiase family protein 0.0068 0.0132 0.0124
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0142 0.0134
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0253 0.0123
Loa Loa (eye worm) hypothetical protein 0.0623 0.2111 0.2104
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0637 0.2161 0.2154
Schistosoma mansoni microtubule-associated protein tau 0.0771 0.2639 0.254
Echinococcus granulosus cyclin dependent kinase 0.0637 0.2161 0.2154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.021 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.021 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0142 0.001
Brugia malayi Protein kinase domain containing protein 0.0637 0.2161 0.2154
Schistosoma mansoni serine/threonine protein kinase 0.2835 1 1
Echinococcus granulosus cyclin dependent kinase 1 0.0637 0.2161 0.2154
Echinococcus multilocularis cyclin dependent kinase 0.0637 0.2161 0.2154
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.2835 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0637 0.2161 1
Giardia lamblia Kinase, CMGC CDK 0.0637 0.2161 0.5
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0167 0.0775
Echinococcus multilocularis cyclin dependent kinase 1 0.0637 0.2161 0.2154
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0167 0.0775
Echinococcus granulosus MAP kinase activated protein kinase 2 0.2835 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0637 0.2161 0.2056
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0142 0.0134
Trypanosoma cruzi cdc2-related kinase 3 0.0637 0.2161 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0637 0.2161 0.2154
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0142 0.001
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0142 0.0134
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.0253 0.0245
Brugia malayi cell division control protein 2 homolog 0.0637 0.2161 0.2154
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0142 0.001
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.0253 0.0245
Echinococcus multilocularis cyclin dependent kinase 1 0.0637 0.2161 0.2154
Loa Loa (eye worm) RNA binding protein 0.0071 0.0142 0.0134
Brugia malayi TAR-binding protein 0.0071 0.0142 0.0134
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0637 0.2161 0.2154
Entamoeba histolytica cell division protein kinase 2, putative 0.0637 0.2161 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.2161 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0142 0.001
Toxoplasma gondii melibiase subfamily protein 0.0102 0.0253 0.1136
Schistosoma mansoni serine/threonine protein kinase 0.0637 0.2161 0.2056
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0637 0.2161 0.2154
Brugia malayi Heterochromatin protein 1 0.0078 0.0167 0.0159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.021 0.0079
Entamoeba histolytica cell division protein kinase 2, putative 0.0637 0.2161 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.021 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.021 0.0079
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.2161 1
Echinococcus granulosus tar DNA binding protein 0.0071 0.0142 0.0134
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0057 0.0265
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.021 0.0202
Plasmodium falciparum protein kinase 5 0.0637 0.2161 1
Echinococcus multilocularis microtubule associated protein 2 0.0771 0.2639 0.2633
Loa Loa (eye worm) hypothetical protein 0.0068 0.0132 0.0124
Echinococcus granulosus microtubule associated protein 2 0.0771 0.2639 0.2633
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0003
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0045 0.7399
Schistosoma mansoni chromobox protein 0.0078 0.0167 0.0036
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0142 0.001
Schistosoma mansoni chromobox protein 0.0078 0.0167 0.0036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.021 0.0202
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0167 0.0159
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.0253 0.0245
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0057 0.0265
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0142 0.0134
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0253 0.0123
Echinococcus granulosus chromobox protein 1 0.0078 0.0167 0.0159
Plasmodium vivax protein kinase Crk2 0.0637 0.2161 1
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.2835 1 1
Echinococcus granulosus cyclin dependent kinase 5 0.0637 0.2161 0.2154
Trypanosoma cruzi cdc2-related kinase 1 0.0637 0.2161 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0045 0.021
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0637 0.2161 1
Trypanosoma brucei cdc2-related kinase 3 0.0637 0.2161 1
Brugia malayi RNA binding protein 0.0071 0.0142 0.0134
Giardia lamblia Kinase, CMGC CDK 0.0637 0.2161 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.021 0.0202
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0045 0.021
Trypanosoma brucei cdc2-related kinase 1 0.0637 0.2161 1
Echinococcus multilocularis chromobox protein 1 0.0078 0.0167 0.0159
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0637 0.2161 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0132 0.0611
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0253 0.0123
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.2161 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0057 1
Trypanosoma cruzi cdc2-related kinase 1 0.0637 0.2161 1
Echinococcus granulosus chromobox protein 1 0.0078 0.0167 0.0159
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0637 0.2161 0.2154
Loa Loa (eye worm) hypothetical protein 0.0044 0.0045 0.0037

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.52 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.364 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.334 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.196 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.118 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) 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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