Detailed information for compound 174199

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.476 | Formula: C24H25FN4O7
  • H donors: 5 H acceptors: 7 LogP: 0.49 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCN(c1ccc(cc1F)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccc2c(c1)c(=O)[nH]c(n2)C
  • InChi: 1S/C24H25FN4O7/c1-13-26-18-4-2-14(10-16(18)23(34)27-13)12-29(8-9-30)20-6-3-15(11-17(20)25)22(33)28-19(24(35)36)5-7-21(31)32/h2-4,6,10-11,19,30H,5,7-9,12H2,1H3,(H,28,33)(H,31,32)(H,35,36)(H,26,27,34)/t19-/m0/s1
  • InChiKey: AMNUPFUBKBXYOX-IBGZPJMESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thymidylate synthetase Starlite/ChEMBL References
Mus musculus thymidylate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
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
Loa Loa (eye worm) ion channel NompC 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1248 0.1248
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1248 0.1248
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel protein 0.0018 0.0066 0.0066
Echinococcus granulosus transient receptor potential cation channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated ion channel 0.0018 0.0066 0.0066
Echinococcus granulosus voltage dependent calcium channel 0.0018 0.0066 0.0066
Brugia malayi follicle stimulating hormone receptor 0.0226 0.5631 0.5631
Echinococcus granulosus tar DNA binding protein 0.0062 0.1248 0.1248
Echinococcus multilocularis short transient receptor potential channel 6 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel protein 0.0018 0.0066 0.0066
Schistosoma mansoni hypothetical protein 0.0033 0.0478 0.0478
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0018 0.0066 0.0066
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel protein 0.0018 0.0066 0.0066
Echinococcus granulosus voltage dependent calcium channel 0.0018 0.0066 0.0066
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus hyperpolarization activated cyclic 0.0018 0.0066 0.0066
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel protein 0.0018 0.0066 0.0066
Echinococcus granulosus voltage gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus multilocularis hyperpolarization activated cyclic 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis shaker cognate 0.0018 0.0066 0.0066
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential channel 0.0018 0.0066 0.0066
Echinococcus granulosus voltage gated potassium channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0018 0.0066 0.0066
Echinococcus multilocularis hyperpolarization activated cyclic 0.0018 0.0066 0.0066
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential channel 4 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0018 0.0066 0.0066
Schistosoma mansoni ryanodine receptor related 0.0018 0.0066 0.0066
Echinococcus granulosus TRP transient receptor potential channel 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel protein 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0066 0.0066
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0018 0.0066 0.0066
Echinococcus granulosus calcium activated potassium channel 0.0018 0.0066 0.0066
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0389 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0018 0.0066 0.0066
Echinococcus multilocularis thymidylate synthase 0.0389 1 1
Echinococcus multilocularis voltage dependent calcium channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0018 0.0066 0.0066
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0018 0.0066 0.0066
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0389 1 0.5
Echinococcus granulosus sodium channel protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1248 0.1248
Schistosoma mansoni hypothetical protein 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0066 0.0066
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0018 0.0066 0.0066
Brugia malayi cation channel family protein 0.0018 0.0066 0.0066
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0018 0.0066 0.0066
Echinococcus granulosus short transient receptor potential channel 6 0.0018 0.0066 0.0066
Loa Loa (eye worm) calcium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0018 0.0066 0.0066
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0018 0.0066 0.0066
Brugia malayi voltage-dependent calcium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0018 0.0066 0.0066
Echinococcus multilocularis voltage gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis calcium activated potassium channel 0.0018 0.0066 0.0066
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0389 1 0.5
Loa Loa (eye worm) ryanodine receptor 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus transient receptor potential cation channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1248 0.1248
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0185 0.4542 0.4505
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0066 0.0066
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0389 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0018 0.0066 0.0066
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0889 0.0889
Echinococcus granulosus potassium voltage gated channel protein 0.0018 0.0066 0.0066
Echinococcus granulosus voltage gated hydrogen channel 1 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0018 0.0066 0.0066
Echinococcus multilocularis ryanodine receptor 44f 0.0018 0.0066 0.0066
Echinococcus granulosus hyperpolarization activated cyclic 0.0018 0.0066 0.0066
Loa Loa (eye worm) thymidylate synthase 0.0389 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1248 0.1248
Echinococcus multilocularis voltage gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0389 1 1
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0018 0.0066 0.0066
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0018 0.0066 0.0066
Loa Loa (eye worm) voltage-gated calcium channel 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni two-pore calcium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium large conductance calcium activated 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential channel 0.0018 0.0066 0.0066
Mycobacterium ulcerans thymidylate synthase 0.0389 1 0.5
Brugia malayi Transient-receptor-potential like protein 0.0018 0.0066 0.0066
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0389 1 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated cation channel 0.0018 0.0066 0.0066
Echinococcus granulosus shaker cognate 0.0018 0.0066 0.0066
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) voltage-gated potassium channel 0.0018 0.0066 0.0066
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0478 0.0478
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0018 0.0066 0.0066
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel protein 0.0018 0.0066 0.0066
Echinococcus multilocularis sodium channel protein 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0018 0.0066 0.0066
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0018 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1248 0.1248
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.5631 0.5631
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus transient receptor potential cation channel 0.0018 0.0066 0.0066
Brugia malayi ion channel NompC 0.0018 0.0066 0.0066
Loa Loa (eye worm) voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0018 0.0066 0.0066
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0389 1 1
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0018 0.0066 0.0066
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0018 0.0066 0.0066
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) voltage-dependent calcium channel 0.0018 0.0066 0.0066
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0018 0.0066 0.0066
Echinococcus multilocularis transfer RNA-Gly 0.0018 0.0066 0.0066
Echinococcus granulosus transient receptor potential gamma protein 0.0018 0.0066 0.0066
Brugia malayi cation channel family protein 0.0018 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1248 0.1248
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus granulosus ryanodine receptor 44f 0.0018 0.0066 0.0066
Brugia malayi RNA binding protein 0.0062 0.1248 0.1248
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis two pore calcium channel protein 1 0.0018 0.0066 0.0066
Echinococcus multilocularis two pore calcium channel protein 2 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0018 0.0066 0.0066
Schistosoma mansoni vesicular amine transporter 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0018 0.0066 0.0066
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0049 0.0889 0.0889
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0389 1 1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0018 0.0066 0.0066
Brugia malayi olfactory channel protein osm-9 0.0018 0.0066 0.0066
Echinococcus granulosus two pore calcium channel protein 1 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential gamma protein 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Echinococcus multilocularis voltage dependent calcium channel 0.0018 0.0066 0.0066
Schistosoma mansoni 60S ribosomal protein L21 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-dependent calcium channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0066
Brugia malayi hypothetical protein 0.0018 0.0066 0.0066
Onchocerca volvulus 0.0389 1 1
Echinococcus granulosus thymidylate synthase 0.0389 1 1
Brugia malayi hypothetical protein 0.0185 0.4542 0.4542
Schistosoma mansoni transient receptor potential channel 0.0018 0.0066 0.0066
Echinococcus granulosus sodium leak channel non selective protein 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0018 0.0066 0.0066
Loa Loa (eye worm) RNA binding protein 0.0062 0.1248 0.1248
Echinococcus granulosus transient receptor potential cation channel 0.0018 0.0066 0.0066
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0018 0.0066 0.0066
Echinococcus granulosus potassium large conductance calcium activated 0.0018 0.0066 0.0066
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis sodium leak channel non selective protein 0.0018 0.0066 0.0066
Echinococcus multilocularis short transient receptor potential channel 6 0.0018 0.0066 0.0066
Echinococcus multilocularis conserved hypothetical protein 0.0018 0.0066 0.0066
Brugia malayi Cyclic-nucleotide gated cation channel 0.0018 0.0066 0.0066
Echinococcus granulosus short transient receptor potential channel 6 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0066 0.0066
Echinococcus granulosus hypothetical protein 0.0018 0.0066 0.0066
Echinococcus granulosus transient receptor potential cation channel 0.0018 0.0066 0.0066
Echinococcus granulosus transient receptor potential cation channel 0.0018 0.0066 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.4542 1
Echinococcus granulosus potassium voltage gated channel protein 0.0018 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1248 0.1248
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0033 0.0478 0.0478
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0018 0.0066 0.0066
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0066 0.0066
Echinococcus granulosus two pore calcium channel protein 2 0.0018 0.0066 0.0066
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0018 0.0066 0.0066
Schistosoma mansoni calcium-activated potassium channel 0.0018 0.0066 0.0066
Echinococcus multilocularis potassium voltage gated channel protein 0.0018 0.0066 0.0066
Brugia malayi TAR-binding protein 0.0062 0.1248 0.1248
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0018 0.0066 0.0066
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1248 0.1248
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0018 0.0066 0.0066
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0389 1 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0018 0.0066 0.0066
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0018 0.0066 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0889 0.0889
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0018 0.0066 0.0066

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 95 % Percent control of the compound for L1210 cell growth in the presence of thymidine (in vitro) ChEMBL. 2231608
Control (functional) = 95 % Percent control of the compound for L1210 cell growth in the presence of thymidine (in vitro) ChEMBL. 2231608
IC50 (binding) = 5.45 Inhibition of thymidylate synthase ChEMBL. 20153089
IC50 (functional) = 0.085 uM Growth inhibition of L1210 cells in culture. ChEMBL. 2231608
IC50 (functional) = 0.085 uM Growth inhibition of L1210 cells in culture. ChEMBL. 2231608
IC50 (binding) = 3.58 uM Inhibition of partially purified thymidylate synthase (TS) ChEMBL. 2231608
IC50 (binding) = 3.58 uM Inhibition of partially purified thymidylate synthase (TS) ChEMBL. 2231608

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 2231608

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.