Detailed information for compound 55873

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.473 | Formula: C20H27N7O4
  • H donors: 7 H acceptors: 6 LogP: -1.48 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(C1)c(O)nc(n2)N
  • InChi: 1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)
  • InChiKey: YYXQTKSKWJEYRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus phosphoribosylglycinamide formyltransferase Starlite/ChEMBL References
Homo sapiens folylpolyglutamate synthase Starlite/ChEMBL References
Homo sapiens phosphoribosylglycinamide formyltransferase, phosphoribosylglycinamide synthetase, phosphoribosylaminoimidazole synthetase Starlite/ChEMBL References
Mus musculus folylpolyglutamyl synthetase Starlite/ChEMBL References
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT Get druggable targets OG5_126894 All targets in OG5_126894
Onchocerca volvulus Get druggable targets OG5_126894 All targets in OG5_126894
Toxoplasma gondii bifunctional protein FolC subfamily protein Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans N terminus of ADE5,7 bifunctional ligase Get druggable targets OG5_126894 All targets in OG5_126894
Trypanosoma brucei gambiense folylpolyglutamate-dihydrofolate synthetase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) Get druggable targets OG5_126889 All targets in OG5_126889
Candida albicans purine biosynthesis Get druggable targets OG5_126894 All targets in OG5_126894
Candida albicans similar to S. cerevisiae YMR113W Get druggable targets OG5_126889 All targets in OG5_126889
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase Get druggable targets OG5_126894 All targets in OG5_126894
Trypanosoma cruzi folylpolyglutamate synthetase Get druggable targets OG5_126889 All targets in OG5_126889
Treponema pallidum folylpolyglutamate synthetase (folC) Get druggable targets OG5_126889 All targets in OG5_126889
Onchocerca volvulus Get druggable targets OG5_126894 All targets in OG5_126894
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania infantum folylpolyglutamate synthetase Get druggable targets OG5_126889 All targets in OG5_126889
Plasmodium knowlesi dihydrofolate synthase/folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial Get druggable targets OG5_126889 All targets in OG5_126889
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC Get druggable targets OG5_126889 All targets in OG5_126889
Brugia malayi FolC bifunctional protein Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium ulcerans phosphoribosylamine--glycine ligase Get druggable targets OG5_126894 All targets in OG5_126894
Schistosoma mansoni folylpolyglutamate synthase Get druggable targets OG5_126889 All targets in OG5_126889
Leishmania braziliensis folylpolyglutamate synthetase Get druggable targets OG5_126889 All targets in OG5_126889
Onchocerca volvulus Putative folylpolyglutamate synthase Get druggable targets OG5_126889 All targets in OG5_126889
Loa Loa (eye worm) FolC protein Get druggable targets OG5_126889 All targets in OG5_126889
Leishmania donovani folylpolyglutamate synthetase Get druggable targets OG5_126889 All targets in OG5_126889
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Neospora caninum hypothetical protein Get druggable targets OG5_126889 All targets in OG5_126889
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans similar to S. cerevisiae MET7 (YOR241W) folylpolyglutamate synthetase involved in folate coenzyme metabolism Get druggable targets OG5_126889 All targets in OG5_126889
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial Get druggable targets OG5_126889 All targets in OG5_126889
Schistosoma japonicum ko:K01930 folylpolyglutamate synthase [EC6.3.2.17], putative Get druggable targets OG5_126889 All targets in OG5_126889
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania mexicana folylpolyglutamate synthetase Get druggable targets OG5_126889 All targets in OG5_126889
Candida albicans hypothetical protein Get druggable targets OG5_126889 All targets in OG5_126889
Schistosoma japonicum ko:K01930 folylpolyglutamate synthase [EC6.3.2.17], putative Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt Get druggable targets OG5_126894 All targets in OG5_126894
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Plasmodium yoelii dihydrofolate synthase/folylpolyglutamate synthase Get druggable targets OG5_126889 All targets in OG5_126889
Theileria parva dihydrofolate synthase/folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Trypanosoma cruzi folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Schistosoma japonicum Folylpolyglutamate synthase, mitochondrial precursor, putative Get druggable targets OG5_126889 All targets in OG5_126889
Candida albicans ADE5,7 bifunctional ligase Get druggable targets OG5_126894 All targets in OG5_126894
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial Get druggable targets OG5_126889 All targets in OG5_126889
Echinococcus granulosus folylpolyglutamate synthase mitochondrial Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) Get druggable targets OG5_126889 All targets in OG5_126889
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase Get druggable targets OG5_126894 All targets in OG5_126894
Candida albicans similar to S. cerevisiae MET7 (YOR241W) folylpolyglutamate synthetase involved in folate coenzyme metabolism Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase Get druggable targets OG5_126894 All targets in OG5_126894
Trypanosoma brucei folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) Get druggable targets OG5_126894 All targets in OG5_126894
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania major folylpolyglutamate synthetase Get druggable targets OG5_126889 All targets in OG5_126889
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) Get druggable targets OG5_126894 All targets in OG5_126894
Plasmodium berghei dihydrofolate synthase/folylpolyglutamate synthase, putative Get druggable targets OG5_126889 All targets in OG5_126889
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0371 0.3783 0.7035
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0241 0.2097 1
Echinococcus granulosus voltage dependent calcium channel 0.0371 0.3783 0.3706
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0371 0.3783 0.3706
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0241 0.2097 1
Brugia malayi dihydrofolate reductase family protein 0.0208 0.1665 0.2965
Trypanosoma cruzi folylpolyglutamate synthetase 0.0241 0.2097 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0359 0.3637 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0371 0.3783 0.3706
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0241 0.2097 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0371 0.3783 0.3706
Chlamydia trachomatis dihydrofolate reductase 0.0208 0.1665 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.085 1 1
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0241 0.2097 1
Brugia malayi Dopamine receptor protein 1 0.0445 0.4742 0.8877
Onchocerca volvulus 0.0089 0.0121 0.0579
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0177 0.1273 0.607
Leishmania major folylpolyglutamate synthetase 0.0241 0.2097 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0208 0.1665 0.4577
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0371 0.3783 0.6455
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0371 0.3783 0.3706
Schistosoma mansoni voltage-gated cation channel 0.0371 0.3783 0.6455
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0241 0.2097 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0241 0.2097 0.2
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0177 0.1273 0.607
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0371 0.3783 0.6455
Loa Loa (eye worm) FolC protein 0.0241 0.2097 0.4276
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0208 0.1665 0.4577
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0241 0.2097 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0125 0.0597 0.0481
Brugia malayi FolC bifunctional protein 0.0241 0.2097 0.3796
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0241 0.2097 0.5766
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0241 0.2097 1
Brugia malayi Serotonin receptor 0.049 0.5326 1
Echinococcus multilocularis voltage dependent calcium channel 0.0371 0.3783 0.3706
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0241 0.2097 0.2
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0546 0.6056 0.6008
Schistosoma mansoni folylpolyglutamate synthase 0.0241 0.2097 0.3483
Loa Loa (eye worm) dihydrofolate reductase 0.0208 0.1665 0.334
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0241 0.2097 1
Echinococcus granulosus tm gpcr rhodopsin 0.0546 0.6056 0.6008
Brugia malayi Dihydrofolate reductase 0.0208 0.1665 0.2965
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0408 0.4264 0.4193
Echinococcus multilocularis sodium channel protein 0.0125 0.0597 0.0481
Schistosoma mansoni amine GPCR 0.0526 0.5793 1
Echinococcus multilocularis voltage dependent calcium channel 0.0371 0.3783 0.3706
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0359 0.3637 1
Loa Loa (eye worm) hypothetical protein 0.0371 0.3783 0.7925
Schistosoma mansoni biogenic amine (5HT) receptor 0.0408 0.4264 0.7303
Echinococcus multilocularis dihydrofolate reductase 0.0208 0.1665 0.1562
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0208 0.1665 0.7938
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0371 0.3783 0.3706
Echinococcus granulosus dihydrofolate reductase 0.0208 0.1665 0.1562
Loa Loa (eye worm) hypothetical protein 0.0445 0.4742 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0371 0.3783 0.3706
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0241 0.2097 0.2
Schistosoma mansoni dihydrofolate reductase 0.0208 0.1665 0.2721
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0241 0.2097 0.5
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0241 0.2097 0.2
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0371 0.3783 0.3706
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0241 0.2097 0.5766
Loa Loa (eye worm) calcium channel 0.0371 0.3783 0.7925
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0359 0.3637 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0408 0.4264 0.4193

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on folic acid (FA) in MCF-7 cells at 50 microM (control= 0.0); Folate pools ChEMBL. 1375963
Activity (functional) = 0 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on folic acid (FA) in MCF-7 cells at 100 microM (control= 0.0); Folate pools ChEMBL. 1375963
Activity (functional) = 0 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on folic acid (FA) in MCF-7 cells at 50 microM (control= 0.0); Folate pools ChEMBL. 1375963
Activity (functional) = 0 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on folic acid (FA) in MCF-7 cells at 100 microM (control= 0.0); Folate pools ChEMBL. 1375963
Activity (functional) = 0.1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-formyltetrahydrofolate (5-CHO-THF) in MCF-7 cells at 100 microM (control= 0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formylfolic acid (10-CHO-FA) in MCF-7 cells at 100 microM(control= 0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-formyltetrahydrofolate (5-CHO-THF) in MCF-7 cells at 100 microM (control= 0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formylfolic acid (10-CHO-FA) in MCF-7 cells at 100 microM(control= 0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-formyltetrahydrofolate (5-CHO-THF) in MCF-7 cells at 50 microM(control=0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on dihydrofolate (DHF) in MCF-7 cells at 50 microM (control=0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formylfolic acid (10-CHO-FA) in MCF-7 cells at 50 microM(control= 0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on dihydrofolate (DHF) in MCF-7 cells at 100 microM (control= 0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-formyltetrahydrofolate (5-CHO-THF) in MCF-7 cells at 50 microM(control=0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on dihydrofolate (DHF) in MCF-7 cells at 50 microM (control=0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formylfolic acid (10-CHO-FA) in MCF-7 cells at 50 microM(control= 0.1); Folate pools ChEMBL. 1375963
Activity (functional) = 0.2 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on dihydrofolate (DHF) in MCF-7 cells at 100 microM (control= 0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.3 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyldihydrofolate (10-CHO-DHF) in MCF-7 cells at 50 microM (control= 0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.3 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyldihydrofolate (10-CHO-DHF) in MCF-7 cells at 100 microM (control= 0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.3 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyldihydrofolate (10-CHO-DHF) in MCF-7 cells at 50 microM (control= 0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.3 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyldihydrofolate (10-CHO-DHF) in MCF-7 cells at 100 microM (control= 0.2); Folate pools ChEMBL. 1375963
Activity (functional) = 0.6 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-methyltetrahydrofolate (5-CH3-THF) in MCF-7 cells at 50 microM(control=0.7); Folate pools ChEMBL. 1375963
Activity (functional) = 0.6 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-methyltetrahydrofolate (5-CH3-THF) in MCF-7 cells at 100 microM (control= 0.7); Folate pools ChEMBL. 1375963
Activity (functional) = 0.6 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-methyltetrahydrofolate (5-CH3-THF) in MCF-7 cells at 50 microM(control=0.7); Folate pools ChEMBL. 1375963
Activity (functional) = 0.6 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 5-methyltetrahydrofolate (5-CH3-THF) in MCF-7 cells at 100 microM (control= 0.7); Folate pools ChEMBL. 1375963
Activity (functional) = 0.9 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on tetrahydrofolate (THF) in MCF-7 cells at 100 microM(control= 1.0); Folate pools ChEMBL. 1375963
Activity (functional) = 0.9 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on tetrahydrofolate (THF) in MCF-7 cells at 100 microM(control= 1.0); Folate pools ChEMBL. 1375963
Activity (functional) = 1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on tetrahydrofolate (THF) in MCF-7 cells at 50 microM (control=1.0); Folate pools ChEMBL. 1375963
Activity (functional) = 1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on tetrahydrofolate (THF) in MCF-7 cells at 50 microM (control=1.0); Folate pools ChEMBL. 1375963
Activity (functional) = 1.7 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyltetrahydrofolate (10-CHO-THF) in MCF-7 cells at 100 microM (control= 1.7); Folate pools ChEMBL. 1375963
Activity (functional) = 1.7 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyltetrahydrofolate (10-CHO-THF) in MCF-7 cells at 100 microM (control= 1.7); Folate pools ChEMBL. 1375963
Activity (functional) = 1.8 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyltetrahydrofolate (10-CHO-THF) in MCF-7 cells at 50 microM (control= 1.7); Folate pools ChEMBL. 1375963
Activity (functional) = 1.8 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on 10-formyltetrahydrofolate (10-CHO-THF) in MCF-7 cells at 50 microM (control= 1.7); Folate pools ChEMBL. 1375963
Activity (functional) = 3.9 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on total folates in MCF-7 cells at 100 microM(control= 4.0); Folate pools ChEMBL. 1375963
Activity (functional) = 3.9 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on total folates in MCF-7 cells at 100 microM(control= 4.0); Folate pools ChEMBL. 1375963
Activity (functional) = 4.1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on total folates in MCF-7 cells at 50 microM (control= 4.0); Folate pools ChEMBL. 1375963
Activity (functional) = 4.1 pM (10e6*cells)-1 Compound was evaluated in vitro for its effect on total folates in MCF-7 cells at 50 microM (control= 4.0); Folate pools ChEMBL. 1375963
I50 (binding) = 0.21 uM Compound was evaluated for the inhibition of Folyl-polyglutamate synthase obtained from porcine ChEMBL. 1375963
I50 (binding) = 2 uM Compound was evaluated for the inhibition of dihydrofolate reductase obtained from human ChEMBL. 1375963
I50 (binding) = 4.8 uM Compound was evaluated for the inhibition of glycinamide ribonucleotide transformylase obtained from porcine (GAR Tfase) ChEMBL. 1375963
I50 (binding) = 470 uM Compound was evaluated for the inhibition of thymidylate synthase obtained from human ChEMBL. 1375963
IC50 (binding) = 0.21 uM Compound was evaluated for the inhibition of Folyl-polyglutamate synthase obtained from porcine ChEMBL. 1375963
IC50 (binding) = 2 uM Compound was evaluated for the inhibition of dihydrofolate reductase obtained from human ChEMBL. 1375963
IC50 (binding) = 4.8 uM Compound was evaluated for the inhibition of glycinamide ribonucleotide transformylase obtained from porcine (GAR Tfase) ChEMBL. 1375963
IC50 (binding) = 470 uM Compound was evaluated for the inhibition of thymidylate synthase obtained from human ChEMBL. 1375963
Inhibition (binding) = 16 % Compound was evaluated for the inhibition of 5-aminoimidazole-4-carboxamide ribonucleotide transformylase obtained from human at 100 microM ChEMBL. 1375963
Inhibition (binding) = 16 % Compound was evaluated for the inhibition of 5-aminoimidazole-4-carboxamide ribonucleotide transformylase obtained from human at 100 microM ChEMBL. 1375963
Ki (binding) = 0.03 uM Compound was tested in vitro for the inhibition of mouse liver Folyl-polyglutamate synthase ChEMBL. 1578484
Ki (binding) = 0.03 uM Compound was tested in vitro for the inhibition of mouse liver Folyl-polyglutamate synthase ChEMBL. 1578484
Ki (binding) = 0.064 uM Potent inhibitor of Folyl-polyglutamate synthase obtained from porcine ChEMBL. 1375963
Ki (binding) = 0.064 uM Potent inhibitor of Folyl-polyglutamate synthase obtained from porcine ChEMBL. 1375963
Ki (binding) = 1.4 uM potent inhibitor of GAR Tfase obtained from porcine ChEMBL. 1375963
Ki (binding) = 1.4 uM potent inhibitor of GAR Tfase obtained from porcine ChEMBL. 1375963
Ki (binding) = 3.7 uM Compound was tested in vitro for the inhibition of glycinamide ribonucleotide formyltransferase from L1210 murine leukemia cells ChEMBL. 1578484
Ki (binding) = 3.7 uM Compound was tested in vitro for the inhibition of glycinamide ribonucleotide formyltransferase from L1210 murine leukemia cells ChEMBL. 1578484

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

2 literature references were collected for this gene.

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