Detailed information for compound 1644987

Basic information

Technical information
  • TDR Targets ID: 1644987
  • Name: 7-ethylamino-6-methyl-4-(trifluoromethyl)chro men-2-one
  • MW: 271.235 | Formula: C13H12F3NO2
  • H donors: 1 H acceptors: 1 LogP: 3.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1cc2oc(=O)cc(c2cc1C)C(F)(F)F
  • InChi: 1S/C13H12F3NO2/c1-3-17-10-6-11-8(4-7(10)2)9(13(14,15)16)5-12(18)19-11/h4-6,17H,3H2,1-2H3
  • InChiKey: NRZJOTSUPLCYDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-ethylamino-6-methyl-4-(trifluoromethyl)-2-chromenone
  • 7-ethylamino-6-methyl-4-(trifluoromethyl)coumarin
  • 55804-70-1
  • 79818-53-4
  • 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2H-chromen-2-one
  • AIDS-016670
  • AIDS016670
  • 2H-1-Benzopyran-2-one, 7-(ethylamino)-6-methyl-4-(trifluoromethyl)-
  • 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2-benzopyrone
  • EINECS 259-828-8
  • NSC 338966
  • BIM-0005339.P001
  • ST5307359
  • CBMicro_005437
  • ZINC00266374
  • NCI60_002991
  • Coumarin 307
  • NSC338966

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.4325 0.7903 0.7903
Trichomonas vaginalis PIKK family atypical protein kinase 0.295 0.5285 0.5285
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0186 0.0024 0.0024
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0356 0.0333
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0685 0.0973 0.064
Echinococcus multilocularis 0.036 0.0356 0.0333
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.0356 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.2945 0.5276 0.5276
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5427 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1859 0.3208 0.2958
Loa Loa (eye worm) hypothetical protein 0.1045 0.1659 0.1639
Echinococcus multilocularis serine protein kinase ATM 0.1045 0.1659 0.1639
Trichomonas vaginalis PIKK family atypical protein kinase 0.1848 0.3188 0.3188
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0356 0.0333
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.038 0.0394 0.0039
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0617 0.0845 0.0824
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Trichomonas vaginalis PIKK family atypical protein kinase 0.1045 0.1659 0.1659
Schistosoma mansoni phosphatidylinositol 4-kinase 0.038 0.0394 0.034
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0551 0.0719 0.0719
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0449 0.0526 0.0176
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0482 0.0587 0.0587
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1045 0.1659 0.1351
Onchocerca volvulus 0.036 0.0356 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.038 0.0394 0.0393
Mycobacterium leprae conserved hypothetical protein 0.036 0.0356 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5427 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1848 0.3188 0.3188
Loa Loa (eye worm) hypothetical protein 0.0685 0.0973 0.0952
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.038 0.0394 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.5427 1 1
Entamoeba histolytica hypothetical protein 0.036 0.0356 0.0324
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.042 0.047 0.0118
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.038 0.0394 0.0371
Schistosoma mansoni hypothetical protein 0.0803 0.1199 0.115
Leishmania major phosphatidylinositol 3-kinase, putative 0.1848 0.3188 0.2936
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1056 0.1679 0.1651
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.036 0.0356 0.0302
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0489 0.0602 0.0602
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2265 0.3982 0.376
Trichomonas vaginalis conserved hypothetical protein 0.1163 0.1885 0.1885
Trypanosoma cruzi target of rapamycin kinase 3 0.4329 0.7911 0.7834
Giardia lamblia GTOR 0.5427 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0551 0.0719 0.0377
Entamoeba histolytica hypothetical protein 0.1045 0.1659 0.1631
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0551 0.0719 0.0377
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0724 0.1049 0.0999
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.0356 0.0356
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1898 0.3284 0.3036
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.038 0.0394 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Echinococcus granulosus serine protein kinase ATM 0.1045 0.1659 0.1639
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0356 0.0333
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0356 0.0333
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.038 0.0394 0.0054
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5427 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.038 0.0394 0.034
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.038 0.0394 0.0039
Toxoplasma gondii target of rapamycin (TOR), putative 0.4047 0.7374 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.036 0.0356 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.2945 0.5276 0.5276
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.036 0.0356 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.3244 0.5845 0.5845
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1045 0.1659 0.1639
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Trichomonas vaginalis PIKK family atypical protein kinase 0.3641 0.66 0.66
Loa Loa (eye worm) hypothetical protein 0.0803 0.1199 0.1178
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4329 0.7911 0.7834
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5427 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5427 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0482 0.0587 0.0565
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.042 0.047 0.0118
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0356 0.0333
Schistosoma mansoni hypothetical protein 0.036 0.0356 0.0302
Trichomonas vaginalis PIKK family atypical protein kinase 0.1056 0.1679 0.1679
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0356 0.0333
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0551 0.0719 0.0688
Loa Loa (eye worm) phosphatidylinositol kinase 0.036 0.0356 0.0333
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0803 0.1199 0.1178
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5427 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1163 0.1885 0.2179
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4329 0.7911 0.7834
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0551 0.0719 0.0719
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0724 0.1049 0.1028
Plasmodium falciparum phosphatidylinositol 3-kinase 0.038 0.0394 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3244 0.5845 0.5845
Trichomonas vaginalis conserved hypothetical protein 0.0803 0.1199 0.1199
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.038 0.0394 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.0973 0.0973
Entamoeba histolytica hypothetical protein 0.0511 0.0643 0.0611
Trichomonas vaginalis PIKK family atypical protein kinase 0.2945 0.5276 0.5276
Trichomonas vaginalis PIKK family atypical protein kinase 0.3228 0.5814 0.5814
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.036 0.0356 0.0302
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.042 0.047 0.047
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5427 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0511 0.0643 0.0611
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.038 0.0394 0.0039
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0617 0.0845 0.0824
Trichomonas vaginalis PIKK family atypical protein kinase 0.295 0.5285 0.5285
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1045 0.1659 0.1612
Schistosoma mansoni phosphatidylinositol 4-kinase 0.036 0.0356 0.0302
Trichomonas vaginalis PIKK family atypical protein kinase 0.4325 0.7903 0.7903
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0551 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.1045 0.1659 0.1659
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.042 0.047 0.047
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.036 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.036 0.0356 0.0333
Schistosoma mansoni fkbp-rapamycin associated protein 0.1045 0.1659 0.1612
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1898 0.3284 0.3268
Brugia malayi FAT domain containing protein 0.0803 0.1199 0.1199
Leishmania major hypothetical protein, conserved 0.0451 0.0529 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.0356 0.0356
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1898 0.3284 0.3036
Leishmania major phosphatidylinositol 3-kinase, putative 0.038 0.0394 0.0039
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1045 0.1659 0.1639
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1898 0.3284 0.3246
Loa Loa (eye worm) phosphatidylinositol 3 0.036 0.0356 0.0333
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1045 0.1659 0.1351
Trichomonas vaginalis PIKK family atypical protein kinase 0.4325 0.7903 0.7903
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.036 0.0356 0.0333
Trichomonas vaginalis PIKK family atypical protein kinase 0.1848 0.3188 0.3188
Loa Loa (eye worm) phosphatidylinositol 3 0.5427 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5427 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.042 0.047 0.0438
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1045 0.1659 0.1659
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.042 0.047 0.0438
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1898 0.3284 0.3284
Trichomonas vaginalis PIKK family atypical protein kinase 0.1848 0.3188 0.3188
Trichomonas vaginalis PIKK family atypical protein kinase 0.3244 0.5845 0.5845
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1898 0.3284 0.3268
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5427 1 1
Loa Loa (eye worm) hypothetical protein 0.1163 0.1885 0.1866
Onchocerca volvulus 0.036 0.0356 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0442 0.0511 0.0479
Loa Loa (eye worm) hypothetical protein 0.0482 0.0587 0.0565
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.04 0.0432 0.0079
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5427 1 1
Entamoeba histolytica protein kinase rad3, putative 0.1045 0.1659 0.1631
Trichomonas vaginalis PIKK family atypical protein kinase 0.5427 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1859 0.3208 0.3208
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.042 0.047 0.0416
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0489 0.0602 0.0602
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1848 0.3188 0.2936
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0724 0.1049 0.1028
Loa Loa (eye worm) phosphatidylinositol 3 0.0684 0.0972 0.0951
Loa Loa (eye worm) hypothetical protein 0.1097 0.1759 0.174
Trichomonas vaginalis PIKK family atypical protein kinase 0.3522 0.6374 0.6374
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.038 0.0394 0.0393
Entamoeba histolytica hypothetical protein 0.036 0.0356 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.3228 0.5814 0.5814
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.038 0.0394 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.1458 0.2445 0.2444
Trichomonas vaginalis PIKK family atypical protein kinase 0.4325 0.7903 0.7903
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0803 0.1199 0.1178
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.038 0.0394 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.295 0.5285 0.5285
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.042 0.047 0.047
Toxoplasma gondii FATC domain-containing protein 0.1045 0.1659 0.1857
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1859 0.3208 0.2958
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.042 0.047 0.047
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5427 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.036 0.0356 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.038 0.0394 0.0393
Trichomonas vaginalis PIKK family atypical protein kinase 0.4047 0.7374 0.7374
Trichomonas vaginalis conserved hypothetical protein 0.0685 0.0973 0.0973
Trichomonas vaginalis PIKK family atypical protein kinase 0.295 0.5285 0.5285
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1045 0.1659 0.1659
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1045 0.1659 0.1351
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.036 0.0356 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.036 0.0356 0.0356
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0482 0.0587 0.0565
Entamoeba histolytica hypothetical protein 0.036 0.0356 0.0324
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0551 0.0719 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.4325 0.7903 0.7903
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.036 0.0356 0.0333
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2559 0.4542 0.434
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.038 0.0394 0.0039
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.038 0.0394 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.038 0.0394 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.4624 0.8471 0.8471
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.038 0.0394 0.0394
Loa Loa (eye worm) phosphatidylinositol 3 0.1859 0.3208 0.3192
Echinococcus multilocularis Zinc finger, PHD finger 0.038 0.0394 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.5427 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.191 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 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 NCI-H23 Non-Small Cell Lung 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 UO-31 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 ACHN 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 SF-539 Central Nervous System 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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