Detailed information for compound 1563059

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.881 | Formula: C17H22ClF3N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)C[C@@H]1CC(O1)(C)C)CCC(F)(F)F
  • InChi: 1S/C17H22ClF3N2O4S/c1-16(2)9-12(27-16)10-23(14(15(22)24)7-8-17(19,20)21)28(25,26)13-5-3-11(18)4-6-13/h3-6,12,14H,7-10H2,1-2H3,(H2,22,24)/t12-,14+/m0/s1
  • InChiKey: MEIBAUIZWBBTLF-GXTWGEPZSA-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 presenilin 1 References
Homo sapiens APH1A gamma secretase subunit References
Homo sapiens presenilin enhancer gamma secretase subunit References
Homo sapiens APH1B gamma secretase subunit Starlite/ChEMBL References
Homo sapiens presenilin 2 References
Homo sapiens nicastrin References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_131095 All targets in OG5_131095
Echinococcus granulosus Nicastrin Get druggable targets OG5_131095 All targets in OG5_131095
Brugia malayi gamma-secretase subunit aph-1 Get druggable targets OG5_130831 All targets in OG5_130831
Echinococcus granulosus presenilin Get druggable targets OG5_128959 All targets in OG5_128959
Schistosoma mansoni gamma-secretase subunit aph-1 Get druggable targets OG5_130831 All targets in OG5_130831
Leishmania braziliensis presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative Get druggable targets OG5_128959 All targets in OG5_128959
Entamoeba histolytica presenilin 1 peptidase, putative Get druggable targets OG5_128959 All targets in OG5_128959
Echinococcus granulosus presenilin enhancer 2 Get druggable targets OG5_132844 All targets in OG5_132844
Echinococcus multilocularis presenilin Get druggable targets OG5_128959 All targets in OG5_128959
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative Get druggable targets OG5_128959 All targets in OG5_128959
Trypanosoma congolense presenilin-like aspartic peptidase, putative Get druggable targets OG5_128959 All targets in OG5_128959
Echinococcus multilocularis gamma secretase subunit aph 1 Get druggable targets OG5_130831 All targets in OG5_130831
Loa Loa (eye worm) gamma-secretase subunit aph-1 Get druggable targets OG5_130831 All targets in OG5_130831
Brugia malayi Presenilin family protein Get druggable targets OG5_128959 All targets in OG5_128959
Trypanosoma brucei gambiense presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative Get druggable targets OG5_128959 All targets in OG5_128959
Loa Loa (eye worm) gamma-secretase subunit pen-2 Get druggable targets OG5_132844 All targets in OG5_132844
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131095 All targets in OG5_131095
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) Get druggable targets OG5_128959 All targets in OG5_128959
Schistosoma japonicum ko:K06171 nicastrin, putative Get druggable targets OG5_131095 All targets in OG5_131095
Trypanosoma brucei presenilin-like aspartic peptidase, putative Get druggable targets OG5_128959 All targets in OG5_128959
Brugia malayi gamma-secretase subunit pen-2 Get druggable targets OG5_132844 All targets in OG5_132844
Trypanosoma cruzi presenilin-like aspartic peptidase, putative Get druggable targets OG5_128959 All targets in OG5_128959
Brugia malayi hypothetical protein Get druggable targets OG5_131095 All targets in OG5_131095
Trypanosoma cruzi presenilin-like aspartic peptidase, putative Get druggable targets OG5_128959 All targets in OG5_128959
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase Get druggable targets OG5_128959 All targets in OG5_128959
Trichomonas vaginalis Nicastrin precursor, putative Get druggable targets OG5_131095 All targets in OG5_131095
Leishmania mexicana presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative Get druggable targets OG5_128959 All targets in OG5_128959
Leishmania infantum presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative Get druggable targets OG5_128959 All targets in OG5_128959
Echinococcus multilocularis Nicastrin Get druggable targets OG5_131095 All targets in OG5_131095
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131095 All targets in OG5_131095
Schistosoma japonicum ko:K04505 presenilin-1, putative Get druggable targets OG5_128959 All targets in OG5_128959
Echinococcus multilocularis Nicastrin Get druggable targets OG5_131095 All targets in OG5_131095
Echinococcus granulosus gamma secretase subunit aph 1 Get druggable targets OG5_130831 All targets in OG5_130831
Schistosoma japonicum ko:K06172 anterior pharynx defective 1, putative Get druggable targets OG5_130831 All targets in OG5_130831
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase Get druggable targets OG5_128959 All targets in OG5_128959
Leishmania donovani presenilin-like aspartic peptidase, putative Get druggable targets OG5_128959 All targets in OG5_128959
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase Get druggable targets OG5_128959 All targets in OG5_128959
Echinococcus multilocularis presenilin enhancer 2 Get druggable targets OG5_132844 All targets in OG5_132844
Trichomonas vaginalis Nicastrin precursor, putative Get druggable targets OG5_131095 All targets in OG5_131095
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus oxalate:formate antiporter presenilin enhancer gamma secretase subunit 101 aa 98 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0626 0.1968 0.3677
Schistosoma mansoni hypothetical protein 0.0019 0.0007 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0265 0.0487
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0265 0.0487
Brugia malayi PHD-finger family protein 0.0022 0.002 0.0017
Echinococcus granulosus gamma secretase subunit aph 1 0.0592 0.1858 0.3467
Echinococcus granulosus chromobox protein 1 0.0068 0.0165 0.0301
Echinococcus multilocularis geminin 0.0333 0.1024 0.1907
Schistosoma mansoni hypothetical protein 0.003 0.0043 0.0207
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0093 0.0248 0.0241
Schistosoma mansoni chromobox protein 0.0068 0.0165 0.087
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0351 0.0344
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0371 0.1145 0.5777
Loa Loa (eye worm) hypothetical protein 0.0064 0.0153 0.0146
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.002 0.0017
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0033 0.0061
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0371 0.1145 0.5777
Brugia malayi gamma-secretase subunit pen-2 0.0233 0.0699 0.0697
Schistosoma mansoni hypothetical protein 0.0333 0.1024 0.5502
Onchocerca volvulus 0.0371 0.1145 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0034 0.0196
Trypanosoma brucei Aph-1 protein, putative 0.0231 0.0692 0.3451
Brugia malayi Bromodomain containing protein 0.0068 0.0166 0.0163
Brugia malayi latrophilin 2 splice variant baaae 0.0064 0.0153 0.0151
Schistosoma mansoni hypothetical protein 0.0121 0.0338 0.18
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0079 0.0813
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0265 0.1404
Echinococcus multilocularis muscleblind protein 1 0.0157 0.0453 0.0839
Echinococcus multilocularis Nicastrin 0.0121 0.0338 0.0624
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0371 0.1145 0.5777
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0032 0.0052 0.0089
Trypanosoma cruzi Nicastrin, putative 0.0044 0.0091 0.017
Brugia malayi dihydrofolate reductase family protein 0.0077 0.0194 0.0192
Toxoplasma gondii hypothetical protein 0.007 0.0174 0.7392
Echinococcus multilocularis presenilin enhancer 2 0.0233 0.0699 0.13
Schistosoma mansoni chromobox protein 0.0068 0.0165 0.087
Brugia malayi Calcitonin receptor-like protein seb-1 0.0093 0.0248 0.0246
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0043 0.004
Loa Loa (eye worm) hypothetical protein 0.0157 0.0453 0.0446
Echinococcus granulosus chromobox protein 1 0.0068 0.0165 0.0301
Schistosoma mansoni hypothetical protein 0.0333 0.1024 0.5502
Trypanosoma cruzi Aph-1 protein, putative 0.0231 0.0692 0.1293
Loa Loa (eye worm) hypothetical protein 0.0035 0.0059 0.0052
Leishmania major hypothetical protein, conserved 0.007 0.0174 0.0324
Schistosoma mansoni gamma-secretase subunit aph-1 0.0592 0.1858 1
Trypanosoma brucei hypothetical protein, conserved 0.0371 0.1145 0.5777
Brugia malayi hypothetical protein 0.0087 0.0228 0.0226
Loa Loa (eye worm) hypothetical protein 0.0037 0.0066 0.0059
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.002 0.0037
Brugia malayi Choline O-acetyltransferase 0.0371 0.1145 0.1143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0093 0.0248 0.0246
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0034 0.0196
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.002 0.0013 0.0047
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0371 0.1145 0.1138
Brugia malayi Presenilin spe-4 0.0087 0.0228 0.0226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0265 0.0487
Schistosoma mansoni dihydrofolate reductase 0.0077 0.0194 0.1026
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0371 0.1145 0.2139
Echinococcus multilocularis gamma secretase subunit aph 1 0.0592 0.1858 0.3467
Schistosoma mansoni survival motor neuron protein 0.0099 0.0266 0.1412
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0626 0.1968 0.1962
Onchocerca volvulus 0.0099 0.0266 0.2023
Loa Loa (eye worm) hypothetical protein 0.0121 0.0338 0.0331
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0033 0.0061
Brugia malayi MH2 domain containing protein 0.0125 0.0351 0.0349
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0043 0.0072
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0248 0.0749 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0043 0.0072
Echinococcus granulosus fetal alzheimer antigen falz 0.002 0.0013 0.0016
Echinococcus multilocularis chromobox protein 1 0.0068 0.0165 0.0301
Brugia malayi Presenilin spe-4 0.0087 0.0228 0.0226
Schistosoma mansoni hypothetical protein 0.003 0.0043 0.0207
Trypanosoma cruzi Aph-1 protein, putative 0.0231 0.0692 0.1293
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0248 0.0749 0.4016
Echinococcus multilocularis chromobox protein 1 0.0068 0.0165 0.0301
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0022 0.002 0.0083
Echinococcus granulosus GPCR family 2 0.003 0.0043 0.0072
Schistosoma mansoni hypothetical protein 0.003 0.0043 0.0207
Loa Loa (eye worm) hypothetical protein 0.0026 0.0033 0.0025
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0043 0.0035
Brugia malayi hypothetical protein 0.0087 0.0228 0.0226
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0054 0.0121 0.0218
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0077 0.0194 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0265 0.1404
Leishmania major carnitine palmitoyltransferase-like protein 0.0626 0.1968 0.3677
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0077 0.0194 0.0363
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0165 0.2001
Loa Loa (eye worm) hypothetical protein 0.0093 0.0248 0.0241
Echinococcus granulosus choline O acetyltransferase 0.0371 0.1145 0.2133
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0077 0.0194 0.5
Schistosoma mansoni hypothetical protein 0.0064 0.0153 0.0803
Echinococcus multilocularis muscleblind protein 0.0157 0.0453 0.0839
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0165 0.2001
Trypanosoma cruzi hypothetical protein, conserved 0.0371 0.1145 0.2139
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0079 0.0813
Trichomonas vaginalis Nicastrin precursor, putative 0.0121 0.0338 0.4366
Echinococcus granulosus geminin 0.0333 0.1024 0.1907
Trichomonas vaginalis Nicastrin precursor, putative 0.0121 0.0338 0.4366
Brugia malayi hypothetical protein 0.0087 0.0228 0.0226
Echinococcus multilocularis GPCR, family 2 0.003 0.0043 0.0072
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0077 0.0194 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0626 0.1968 0.3672
Brugia malayi Latrophilin receptor protein 2 0.003 0.0043 0.004
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0099 0.0266 0.0264
Leishmania major carnitine/choline acetyltransferase, putative 0.0371 0.1145 0.2139
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.007 0.0686
Trypanosoma cruzi hypothetical protein, conserved 0.0371 0.1145 0.2139
Schistosoma mansoni hypothetical protein 0.003 0.0043 0.0207
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0079 0.0324
Echinococcus multilocularis nicalin 0.0044 0.0091 0.0162
Onchocerca volvulus 0.0371 0.1145 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0033 0.0067
Brugia malayi hypothetical protein 0.0026 0.0033 0.003
Schistosoma mansoni hypothetical protein 0.0099 0.0266 0.1412
Leishmania major hypothetical protein, conserved 0.0026 0.0033 0.0061
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0043 0.0072
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0077 0.0194 0.8391
Brugia malayi Bromodomain containing protein 0.0035 0.0059 0.0056
Toxoplasma gondii hypothetical protein 0.0087 0.0228 1
Echinococcus multilocularis survival motor neuron protein 1 0.0484 0.151 0.2816
Brugia malayi hypothetical protein 0.0121 0.0338 0.0336
Trypanosoma cruzi Nicastrin, putative 0.0044 0.0091 0.017
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0077 0.0194 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0371 0.1145 0.2139
Brugia malayi Muscleblind-like protein 0.0157 0.0453 0.0451
Brugia malayi Choline O-acetyltransferase 0.0371 0.1145 0.1143
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0626 0.1968 1
Echinococcus granulosus serine protein kinase ATM 0.0022 0.002 0.0029
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.007 0.0174 0.0791
Brugia malayi gamma-secretase subunit aph-1 0.0592 0.1858 0.1856
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.007 0.024
Brugia malayi hypothetical protein 0.0121 0.0338 0.0336
Echinococcus multilocularis choline O acetyltransferase 0.0371 0.1145 0.2133
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1673 0.5352 1
Loa Loa (eye worm) choline O-acetyltransferase 0.0371 0.1145 0.1138
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0248 0.0749 0.1399
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0265 0.0262
Loa Loa (eye worm) hypothetical protein 0.003 0.0043 0.0035
Echinococcus granulosus Nicastrin 0.0121 0.0338 0.0624
Loa Loa (eye worm) hypothetical protein 0.0371 0.1145 0.1138
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.007 0.0686
Entamoeba histolytica presenilin 1 peptidase, putative 0.0248 0.0749 1
Trypanosoma brucei Nicastrin, putative 0.0044 0.0091 0.0366
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0371 0.1145 0.1143
Schistosoma mansoni choline o-acyltransferase 0.0371 0.1145 0.6153
Echinococcus multilocularis Nicastrin 0.0121 0.0338 0.0624
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0371 0.1145 0.2139
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1673 0.5352 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1673 0.5352 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0009 0.0018
Brugia malayi chromobox protein homolog 3 0.0038 0.007 0.0067
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0248 0.0749 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1673 0.5352 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0626 0.1968 0.3672
Brugia malayi Presenilin spe-4 0.0087 0.0228 0.0226
Schistosoma mansoni bromodomain containing protein 0.0057 0.0131 0.0686
Echinococcus multilocularis fetal alzheimer antigen, falz 0.002 0.0013 0.0016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0265 0.0257
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0626 0.1968 0.1966
Echinococcus granulosus dihydrofolate reductase 0.0077 0.0194 0.0356
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0077 0.0194 0.0898
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0592 0.1858 0.1852
Loa Loa (eye worm) hypothetical protein 0.0038 0.0071 0.0064
Entamoeba histolytica hypothetical protein 0.0044 0.0091 0.0977
Chlamydia trachomatis dihydrofolate reductase 0.0077 0.0194 0.5
Echinococcus granulosus muscleblind protein 0.0157 0.0453 0.0839
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0233 0.0699 0.0693
Brugia malayi Dihydrofolate reductase 0.0077 0.0194 0.0192
Echinococcus multilocularis serine protein kinase ATM 0.0022 0.002 0.0029
Loa Loa (eye worm) dihydrofolate reductase 0.0077 0.0194 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0265 0.1404
Trypanosoma cruzi hypothetical protein, conserved 0.0371 0.1145 0.2139
Loa Loa (eye worm) presenilin spe-4 0.0087 0.0228 0.0221
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0351 0.0344
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0032 0.0052 0.0089
Brugia malayi Presenilin-like protein At2g29900 0.0087 0.0228 0.0226
Schistosoma mansoni choline o-acyltransferase 0.0371 0.1145 0.6153
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0371 0.1145 0.2139
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0033 0.0625
Loa Loa (eye worm) hypothetical protein 0.003 0.0043 0.0036
Loa Loa (eye worm) hypothetical protein 0.0157 0.0453 0.0446
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0265 0.0487
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0248 0.0749 0.1399
Echinococcus granulosus survival motor neuron protein 1 0.0484 0.151 0.2816
Loa Loa (eye worm) hypothetical protein 0.0064 0.0153 0.0146
Loa Loa (eye worm) hypothetical protein 0.0038 0.007 0.0062
Onchocerca volvulus 0.0371 0.1145 1
Echinococcus granulosus presenilin enhancer 2 0.0233 0.0699 0.13
Trypanosoma cruzi hypothetical protein, conserved 0.0371 0.1145 0.2139
Trypanosoma cruzi hypothetical protein, conserved 0.0371 0.1145 0.2139
Loa Loa (eye worm) hypothetical protein 0.3112 1 1
Echinococcus granulosus nicalin 0.0044 0.0091 0.0162
Echinococcus granulosus presenilin 0.0248 0.0749 0.1392
Brugia malayi Heterochromatin protein 1 0.0068 0.0165 0.0163
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0371 0.1145 0.2139
Loa Loa (eye worm) hypothetical protein 0.0484 0.151 0.1504
Brugia malayi hypothetical protein 0.0484 0.151 0.1508
Echinococcus multilocularis presenilin 0.0248 0.0749 0.1392
Onchocerca volvulus 0.0371 0.1145 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1673 0.5352 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0077 0.0194 0.0363
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0077 0.0194 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0165 0.0158
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0043 0.0072
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0054 0.0121 0.0218
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0248 0.0749 0.3742
Echinococcus multilocularis dihydrofolate reductase 0.0077 0.0194 0.0356
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0248 0.0749 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0002
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0248 0.0749 0.1399
Brugia malayi Presenilin family protein 0.0248 0.0749 0.0746

Activities

Activity type Activity value Assay description Source Reference
F (ADMET) < 5 % Oral bioavailability in mouse ChEMBL. 21995460
IC50 (binding) = 16.5 nM Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 production by ELISA technique ChEMBL. 21995460

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

1 literature reference was collected for this gene.

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