Detailed information for compound 1293544

Basic information

Technical information
  • TDR Targets ID: 1293544
  • Name: 8-cyclopropyl-6-methyl-2-piperazin-1-ylpterid in-7-one
  • MW: 286.332 | Formula: C14H18N6O
  • H donors: 1 H acceptors: 3 LogP: -0.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2cnc(nc2n(c1=O)C1CC1)N1CCNCC1
  • InChi: 1S/C14H18N6O/c1-9-13(21)20(10-2-3-10)12-11(17-9)8-16-14(18-12)19-6-4-15-5-7-19/h8,10,15H,2-7H2,1H3
  • InChiKey: ITBYRNJIFJOITB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-cyclopropyl-6-methyl-2-piperazin-1-yl-pteridin-7-one
  • 8-cyclopropyl-6-methyl-2-(1-piperazinyl)-7-pteridinone
  • PCOP-319373
  • NCGC00010958

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0066 0.8918 0.8918
Schistosoma mansoni transient receptor potential channel 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel protein 0.0066 0.8918 0.8918
Loa Loa (eye worm) voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus shaker cognate 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.5705 0.5705
Schistosoma mansoni voltage-dependent calcium channel 0.0066 0.8918 0.8918
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0066 0.8918 0.8918
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.4681 0.4681
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0066 0.8918 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0066 0.8918 0.8918
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.4681 0.5249
Echinococcus multilocularis two pore calcium channel protein 2 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni hypothetical protein 0.005 0.5705 0.5705
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0066 0.8918 1
Echinococcus granulosus voltage gated potassium channel 0.0066 0.8918 0.8918
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.4681 0.4681
Echinococcus multilocularis voltage gated potassium channel 0.0066 0.8918 0.8918
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.9629 0.9629
Echinococcus granulosus voltage dependent calcium channel 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated cation channel 0.0066 0.8918 0.8918
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.4681 1
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel protein 0.0066 0.8918 0.8918
Schistosoma mansoni two-pore calcium channel 0.0066 0.8918 0.8918
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.5705 0.5705
Echinococcus multilocularis ryanodine receptor 44f 0.0066 0.8918 0.8918
Brugia malayi ion channel NompC 0.0066 0.8918 0.8918
Echinococcus granulosus transient receptor potential cation channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0066 0.8918 0.8918
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.4681 0.5249
Toxoplasma gondii exonuclease III APE 0.0023 0.027 0.0303
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.4681 0.4681
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0066 0.8918 0.8918
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.4681 0.4681
Echinococcus multilocularis transfer RNA-Gly 0.0066 0.8918 0.8918
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0066 0.8918 1
Toxoplasma gondii transporter, cation channel family protein 0.0066 0.8918 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0066 0.8918 0.8918
Loa Loa (eye worm) voltage-dependent calcium channel 0.0066 0.8918 0.8918
Echinococcus granulosus caspase 8 0.0021 0.0000068073 0.0000068073
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0066 0.8918 0.8918
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0066 0.8918 0.8918
Toxoplasma gondii hypothetical protein 0.0066 0.8918 1
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0066 0.8918 0.8918
Echinococcus multilocularis transient receptor potential cation channel 0.0066 0.8918 0.8918
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0066 0.8918 0.8918
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0021 0.0000068073 0.0000068073
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.4681 0.4861
Echinococcus multilocularis potassium voltage gated channel protein 0.0066 0.8918 0.8918
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0066 0.8918 0.7481
Loa Loa (eye worm) voltage-gated calcium channel 0.0066 0.8918 0.8918
Echinococcus granulosus sodium leak channel non selective protein 0.0066 0.8918 0.8918
Loa Loa (eye worm) ryanodine receptor 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0066 0.8918 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.4681 0.4681
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.4681 0.4681
Echinococcus granulosus voltage gated hydrogen channel 1 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0066 0.8918 0.8918
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.4681 0.5249
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0066 0.8918 0.8918
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.9629 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.4681 0.4681
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.027 0.0303
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.027 0.028
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0066 0.8918 0.8918
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.9629 0.9629
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.027 0.0303
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0066 0.8918 0.8918
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.027 0.0303
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel protein 0.0066 0.8918 0.8918
Echinococcus granulosus ryanodine receptor 44f 0.0066 0.8918 0.8918
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel protein 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni ap endonuclease 0.0023 0.027 0.027
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0066 0.8918 0.8918
Brugia malayi Transient-receptor-potential like protein 0.0066 0.8918 0.8918
Toxoplasma gondii hypothetical protein 0.0066 0.8918 1
Schistosoma mansoni transient receptor potential channel 0.0066 0.8918 0.8918
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.027 0.0303
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus TRP transient receptor potential channel 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel protein 0.0066 0.8918 0.8918
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0066 0.8918 0.8918
Echinococcus multilocularis conserved hypothetical protein 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus transient receptor potential cation channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.027 0.027
Echinococcus multilocularis sodium channel protein 0.0066 0.8918 0.8918
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.027 0.0303
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0066 0.8918 0.8918
Echinococcus granulosus hyperpolarization activated cyclic 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0066 0.8918 0.8918
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0066 0.8918 0.8918
Echinococcus multilocularis transient receptor potential cation channel 0.0066 0.8918 0.8918
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0066 0.8918 0.8918
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.9629 1
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.4681 1
Echinococcus granulosus calcium activated potassium channel 0.0066 0.8918 0.8918
Leishmania major hypothetical protein, conserved 0.0066 0.8918 0.9261
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0066 0.8918 0.8918
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.8692 0.8692
Echinococcus granulosus transient receptor potential cation channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Schistosoma mansoni vesicular amine transporter 0.0066 0.8918 0.8918
Echinococcus granulosus voltage dependent calcium channel 0.0066 0.8918 0.8918
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0066 0.8918 0.8918
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0066 0.8918 0.8918
Toxoplasma gondii transporter, cation channel family protein 0.0066 0.8918 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0066 0.8918 0.8918
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0066 0.8918 0.8918
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni transient receptor potential channel 4 0.0066 0.8918 0.8918
Echinococcus multilocularis shaker cognate 0.0066 0.8918 0.8918
Echinococcus multilocularis transient receptor potential cation channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.9629 0.9629
Brugia malayi Cyclic-nucleotide gated cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis caspase 8 0.0021 0.0000068073 0.0000068073
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.9629 0.9629
Echinococcus multilocularis calcium activated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0066 0.8918 0.8918
Echinococcus multilocularis transient receptor potential cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0066 0.8918 0.8918
Echinococcus granulosus transient receptor potential gamma protein 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage dependent calcium channel 0.0066 0.8918 0.8918
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.027 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0066 0.8918 1
Loa Loa (eye worm) calcium channel 0.0066 0.8918 0.8918
Schistosoma mansoni hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel protein 0.0066 0.8918 0.8918
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.4681 0.5249
Onchocerca volvulus 0.0066 0.8918 0.7481
Loa Loa (eye worm) hypothetical protein 0.005 0.5705 0.5705
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0066 0.8918 0.8918
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.9629 1
Echinococcus granulosus potassium voltage gated channel protein 0.0066 0.8918 0.8918
Brugia malayi voltage-dependent calcium channel 0.0066 0.8918 0.8918
Echinococcus multilocularis hyperpolarization activated cyclic 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0066 0.8918 0.8918
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.4681 0.4681
Toxoplasma gondii transporter, cation channel family protein 0.0066 0.8918 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0066 0.8918 0.8918
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.027 0.027
Brugia malayi cation channel family protein 0.0066 0.8918 0.8918
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.4681 0.5249
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium large conductance calcium activated 0.0066 0.8918 0.8918
Schistosoma mansoni calcium-activated potassium channel 0.0066 0.8918 0.8918
Brugia malayi hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus sodium channel protein 0.0066 0.8918 0.8918
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.4681 0.4681
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0066 0.8918 0.8918
Schistosoma mansoni ryanodine receptor related 0.0066 0.8918 0.8918
Schistosoma mansoni ap endonuclease 0.0023 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.8918 0.8918
Echinococcus granulosus hyperpolarization activated cyclic 0.0066 0.8918 0.8918
Schistosoma mansoni transient receptor potential channel 0.0066 0.8918 0.8918
Echinococcus multilocularis transient receptor potential cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0066 0.8918 0.8918
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0066 0.8918 0.8918
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.027 0.027
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0066 0.8918 0.8918
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0066 0.8918 0.9261
Echinococcus multilocularis transient receptor potential cation channel 0.0066 0.8918 0.8918
Echinococcus granulosus voltage gated potassium channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) ion channel NompC 0.0066 0.8918 0.8918
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0066 0.8918 0.8918
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0066 0.8918 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0066 0.8918 0.8918
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0066 0.8918 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus potassium large conductance calcium activated 0.0066 0.8918 0.8918
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0066 0.8918 0.8918
Echinococcus multilocularis transient receptor potential gamma protein 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0066 0.8918 0.8918
Leishmania major hypothetical protein, unknown function 0.0066 0.8918 0.9261
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.4681 0.5249
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0066 0.8918 0.8918
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0066 0.8918 0.8918
Schistosoma mansoni 60S ribosomal protein L21 0.0066 0.8918 0.8918
Echinococcus multilocularis two pore calcium channel protein 1 0.0066 0.8918 0.8918
Echinococcus multilocularis hyperpolarization activated cyclic 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Echinococcus granulosus transient receptor potential cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0066 0.8918 0.8918
Echinococcus granulosus two pore calcium channel protein 1 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage dependent calcium channel 0.0066 0.8918 0.8918
Echinococcus granulosus transient receptor potential cation channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0066 0.8918 0.8918
Echinococcus multilocularis voltage gated potassium channel 0.0066 0.8918 0.8918
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.027 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.4681 0.4681
Schistosoma mansoni voltage-gated ion channel 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus hypothetical protein 0.0066 0.8918 0.8918
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0066 0.8918 0.8918
Brugia malayi cation channel family protein 0.0066 0.8918 0.8918
Echinococcus multilocularis sodium leak channel non selective protein 0.0066 0.8918 0.8918
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.9629 1
Brugia malayi hypothetical protein 0.005 0.5705 0.5705
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0066 0.8918 0.8918
Echinococcus granulosus transient receptor potential cation channel 0.0066 0.8918 0.8918
Brugia malayi olfactory channel protein osm-9 0.0066 0.8918 0.8918
Echinococcus granulosus potassium voltage gated channel protein 0.0066 0.8918 0.8918
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0066 0.8918 0.7481
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0066 0.8918 1
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Loa Loa (eye worm) hypothetical protein 0.0066 0.8918 0.8918
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0066 0.8918 0.8918
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0066 0.8918 0.8918
Echinococcus granulosus two pore calcium channel protein 2 0.0066 0.8918 0.8918
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.8918 0.8918

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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.

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