Detailed information for compound 1780848

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.533 | Formula: C25H29F3N6O
  • H donors: 1 H acceptors: 4 LogP: 5.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNc1nc(C#N)nc(n1)N(C1C2CC3CC1CC(C2)C3)Cc1cccc(c1)C(F)(F)F
  • InChi: 1S/C25H29F3N6O/c1-35-6-5-30-23-31-21(13-29)32-24(33-23)34(14-15-3-2-4-20(12-15)25(26,27)28)22-18-8-16-7-17(10-18)11-19(22)9-16/h2-4,12,16-19,22H,5-11,14H2,1H3,(H,30,31,32,33)
  • InChiKey: PWUKYFLXNLDXAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.00265853 0.0476094 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.00265853 0.0476094 1
Schistosoma mansoni single-minded 0.00953544 0.252613 0.237737
Echinococcus granulosus neuroligin 0.00234066 0.0381336 0.0189877
Echinococcus multilocularis prostaglandin H2 D isomerase 0.00270591 0.0490219 0.0300927
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0114276 0.309021 0.298843
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.00265853 0.0476094 1
Echinococcus multilocularis carboxylesterase 5A 0.0138529 0.381319 0.369004
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.00265853 0.0476094 0.156561
Loa Loa (eye worm) hypothetical protein 0.00171615 0.0195165 0.005075
Echinococcus multilocularis nervana 2 0.0211876 0.599968 0.592006
Trypanosoma brucei calcium-translocating P-type ATPase 0.00220039 0.0339519 0.564962
Brugia malayi glutathione transferase 0.0241462 0.688166 0.687394
Echinococcus multilocularis glutathione S-transferase 0.00270591 0.0490219 0.0300927
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663
Leishmania major P-type ATPase, putative 0.00220039 0.0339519 0.513847
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.00265853 0.0476094 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0211876 0.599968 0.592006
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.00247814 0.0422317 0.828701
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.00265853 0.0476094 1
Leishmania major cytochrome p450-like protein 0.00265853 0.0476094 1
Echinococcus granulosus glutathione S transferase Mu 1 0.00270591 0.0490219 0.0300927
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0211876 0.599968 0.592006
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.00265853 0.0476094 1
Loa Loa (eye worm) CYP4Cod1 0.00265853 0.0476094 0.0335818
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.00247814 0.0422317 0.828701
Trichomonas vaginalis guanylate cyclase, putative 0.00247814 0.0422317 1
Echinococcus multilocularis 0.00265853 0.0476094 0.0286522
Brugia malayi calcium ATPase 0.00154571 0.0144355 0.0119966
Echinococcus multilocularis glutathione S transferase 0.00206511 0.0299193 0.0106099
Brugia malayi hypothetical protein 0.00234066 0.0381336 0.0357533
Trichomonas vaginalis conserved hypothetical protein 0.00247814 0.0422317 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.00247814 0.0422317 0.828701
Loa Loa (eye worm) hypothetical protein 0.00206511 0.0299193 0.0156311
Leishmania major calcium motive p-type ATPase, putative 0.00220039 0.0339519 0.513847
Brugia malayi Carboxylesterase family protein 0.00234066 0.0381336 0.0357533
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.00220039 0.0339519 0.0315613
Brugia malayi Carboxylesterase family protein 0.00234066 0.0381336 0.0357533
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.00265853 0.0476094 1
Echinococcus granulosus acetylcholinesterase 0.0138529 0.381319 0.369004
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.00265853 0.0476094 0.156561
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.00234066 0.0381336 0.0189877
Loa Loa (eye worm) cytochrome P450 family protein 0.00265853 0.0476094 0.0335818
Echinococcus granulosus single minded 2 0.0070573 0.178739 0.162392
Echinococcus multilocularis BC026374 protein (S09 family) 0.00234066 0.0381336 0.0189877
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.00171615 0.0195165 0.105142
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0138529 0.381319 0.369004
Trypanosoma cruzi Calcium ATPase SERCA-like 0.00171615 0.0195165 0.105142
Echinococcus granulosus calcium transporting atpase 0.00220039 0.0339519 0.0147228
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0346067 1 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.00265853 0.0476094 0.156561
Brugia malayi Cytochrome P450 family protein 0.00265853 0.0476094 0.0452526
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0158692 0.441426 0.430308
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.00220039 0.0339519 0.564962
Loa Loa (eye worm) hypothetical protein 0.00922458 0.243346 0.232202
Onchocerca volvulus 0.0158692 0.441426 0.72188
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.00206511 0.0299193 0.457968
Plasmodium falciparum glutathione S-transferase 0.00270591 0.0490219 1
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.011425 0.308941 0.295185
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.00220306 0.0340316 0.014804
Echinococcus granulosus aryl hydrocarbon receptor 0.00247814 0.0422317 0.0231674
Brugia malayi Na,K-ATPase alpha subunit 0.0114276 0.309021 0.307311
Onchocerca volvulus 0.00234066 0.0381336 0.0144097
Loa Loa (eye worm) hypothetical protein 0.0211876 0.599968 0.594077
Onchocerca volvulus 0.00234066 0.0381336 0.0144097
Leishmania major cytochrome p450-like protein 0.00265853 0.0476094 1
Brugia malayi Carboxylesterase family protein 0.00234066 0.0381336 0.0357533
Mycobacterium ulcerans carboxylesterase, LipT 0.00234066 0.0381336 0.12419
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.00247814 0.0422317 0.0231674
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.00220039 0.0339519 0.0147228
Trypanosoma cruzi cytochrome P450, putative 0.00265853 0.0476094 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.00265853 0.0476094 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.00265853 0.0476094 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.00234066 0.0381336 0.0189877
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.00265853 0.0476094 0.156561
Echinococcus granulosus nervana 2 0.0211876 0.599968 0.592006
Echinococcus multilocularis para nitrobenzyl esterase 0.00234066 0.0381336 0.0189877
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.00220306 0.0340316 0.516681
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0011416 0.00238889 0.0701963
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.00220039 0.0339519 0.0147228
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0158692 0.441426 0.430308
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.00220039 0.0339519 0.0147228
Echinococcus granulosus glutathione s transferase mu 0.00270591 0.0490219 0.0300927
Loa Loa (eye worm) cytochrome P450 0.00265853 0.0476094 0.0335818
Loa Loa (eye worm) hypothetical protein 0.00247814 0.0422317 0.0281249
Echinococcus multilocularis nervana 2 0.0158692 0.441426 0.430308
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.00171615 0.0195165 0.105142
Leishmania major protein kinase, putative 0.00247814 0.0422317 0.808575
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.00265853 0.0476094 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0108327 0.291284 0.280846
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.00247814 0.0422317 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.00247814 0.0422317 0.828701
Echinococcus multilocularis acetylcholinesterase 0.0138529 0.381319 0.369004
Echinococcus granulosus cytochrome P450 2K1 0.00265853 0.0476094 0.0286522
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.00171615 0.0195165 0.573481
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.00265853 0.0476094 0.156561
Schistosoma mansoni cytochrome P450 0.00265853 0.0476094 0.0286522
Echinococcus multilocularis glutathione s transferase mu 0.00270591 0.0490219 0.0300927
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0346067 1 1
Leishmania major calcium-transporting ATPase, putative 0.00220039 0.0339519 0.513847
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.00265853 0.0476094 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0346067 1 1
Onchocerca volvulus 0.0211876 0.599968 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.00265853 0.0476094 0.156561
Trichomonas vaginalis guanylate cyclase, putative 0.00247814 0.0422317 1
Loa Loa (eye worm) cytochrome P450 family protein 0.00265853 0.0476094 0.0335818
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.00265853 0.0476094 0.156561
Schistosoma mansoni transmemberane protein 0.0211876 0.599968 0.592006
Loa Loa (eye worm) acetylcholinesterase 1 0.0138529 0.381319 0.372207
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.00171615 0.0195165 0.105142
Loa Loa (eye worm) hypothetical protein 0.0138529 0.381319 0.372207
Loa Loa (eye worm) carboxylesterase 0.00234066 0.0381336 0.0239663
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.00265853 0.0476094 0.156561
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0211876 0.599968 0.592006
Brugia malayi Carboxylesterase family protein 0.00234066 0.0381336 0.0357533
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0211876 0.599968 0.592006
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.00160542 0.0162157 0.00172557
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.00265853 0.0476094 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.00234066 0.0381336 0.0189877
Mycobacterium tuberculosis Carboxylesterase LipT 0.00234066 0.0381336 0.793236
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.00171615 0.0195165 0.000275083
Brugia malayi hypoxia-induced factor 1 0.0295124 0.848135 0.847759
Echinococcus multilocularis nervana 2 0.0158692 0.441426 0.430308
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0158692 0.441426 0.430308
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.00265853 0.0476094 0.156561
Trichomonas vaginalis spcc417.12 protein, putative 0.00234066 0.0381336 0.819586
Loa Loa (eye worm) carboxylesterase 0.0138529 0.381319 0.372207
Onchocerca volvulus 0.0109407 0.294505 0.464146
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.00265853 0.0476094 0.156561
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.00247814 0.0422317 0.5
Echinococcus multilocularis glutathione S transferase 0.00206511 0.0299193 0.0106099
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.00220306 0.0340316 1
Echinococcus multilocularis glutathione S transferase 0.00270591 0.0490219 0.0300927
Trypanosoma brucei cytochrome P450, putative 0.00265853 0.0476094 1
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.00220039 0.0339519 0.0147228
Loa Loa (eye worm) cytochrome P450 family protein 0.00265853 0.0476094 0.0335818
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.00234066 0.0381336 0.0189877
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.00265853 0.0476094 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0108327 0.291284 0.28953
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.00265853 0.0476094 0.156561
Loa Loa (eye worm) hypothetical protein 0.0211876 0.599968 0.594077
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.00220039 0.0339519 0.513847
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.00265853 0.0476094 1
Trichomonas vaginalis conserved hypothetical protein 0.00247814 0.0422317 1
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663
Echinococcus granulosus calcium transporting ATPase type 2C member 0.00220306 0.0340316 0.014804
Loa Loa (eye worm) hypothetical protein 0.00928697 0.245206 0.234089
Brugia malayi bHLH-PAS transcription factor 0.0070573 0.178739 0.176706
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663
Toxoplasma gondii cytochrome p450 superfamily protein 0.00265853 0.0476094 1
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.00160542 0.0162157 0.0137811
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.00265853 0.0476094 0.156561
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.00220039 0.0339519 0.635497
Echinococcus granulosus acetylcholinesterase 0.0138529 0.381319 0.369004
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.00247814 0.0422317 1
Echinococcus granulosus glutathione S transferase 0.00270591 0.0490219 0.0300927
Schistosoma mansoni neuroligin 3 (S09 family) 0.00234066 0.0381336 0.0189877
Echinococcus multilocularis nervana 2 0.0211876 0.599968 0.592006
Plasmodium vivax glutathione S-transferase, putative 0.00270591 0.0490219 1
Loa Loa (eye worm) hypothetical protein 0.0241462 0.688166 0.683573
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.00247814 0.0422317 0.808575
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.00265853 0.0476094 0.156561
Onchocerca volvulus 0.00234066 0.0381336 0.0144097
Echinococcus granulosus nervana 2 0.0158692 0.441426 0.430308
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.00265853 0.0476094 1
Brugia malayi cytochrome P450 0.00265853 0.0476094 0.0452526
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.00270591 0.0490219 0.0300927
Brugia malayi hypothetical protein 0.0320741 0.924501 0.924314
Schistosoma mansoni na+/k+ atpase alpha subunit 0.011425 0.308941 0.295185
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.00247814 0.0422317 0.0231674
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.00220306 0.0340316 0.014804
Echinococcus granulosus BC026374 protein S09 family 0.00234066 0.0381336 0.0189877
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0211876 0.599968 0.592006
Brugia malayi PAS domain containing protein 0.00953544 0.252613 0.250764
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.00265853 0.0476094 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.00220039 0.0339519 0.564962
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.00220306 0.0340316 0.00528453
Loa Loa (eye worm) hypothetical protein 0.0138529 0.381319 0.372207
Leishmania major protein kinase, putative 0.00247814 0.0422317 0.808575
Echinococcus multilocularis transfer RNA-Lys 0.0070573 0.178739 0.162392
Brugia malayi Membrane calcium atpase protein 3 0.00220039 0.0339519 0.0315613
Schistosoma mansoni GST class-mu 0.00270591 0.0490219 0.0300927
Brugia malayi Cytochrome P450 family protein 0.00265853 0.0476094 0.0452526
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.00154838 0.0145151 0.0120764
Brugia malayi Cytochrome P450 family protein 0.00265853 0.0476094 0.0452526
Loa Loa (eye worm) hypothetical protein 0.0319905 0.922009 0.92086
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.00265853 0.0476094 1
Schistosoma mansoni acetylcholinesterase 0.00234066 0.0381336 0.0189877
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.00220039 0.0339519 0.0147228
Echinococcus multilocularis aryl hydrocarbon receptor 0.00247814 0.0422317 0.0231674
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.00234066 0.0381336 0.819586
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.00247814 0.0422317 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0295124 0.848135 0.845898
Toxoplasma gondii P-type ATPase4, putative 0.00220306 0.0340316 0.516681
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.011425 0.308941 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0211876 0.599968 0.592006
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0103458 0.276769 1
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.00220039 0.0339519 0.0147228
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.00265853 0.0476094 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.00265853 0.0476094 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.00220306 0.0340316 0.639003
Trichomonas vaginalis conserved hypothetical protein 0.00247814 0.0422317 1
Brugia malayi hypothetical protein 0.0319905 0.922009 0.921816
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.00220306 0.0340316 0.014804
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.00265853 0.0476094 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.00265853 0.0476094 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0109407 0.294505 1
Schistosoma mansoni aryl hydrocarbon receptor 0.00953544 0.252613 0.237737
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.00265853 0.0476094 0.156561
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0158692 0.441426 0.430308
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0211876 0.599968 0.592006
Loa Loa (eye worm) hypothetical protein 0.0114276 0.309021 0.298843
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.00265853 0.0476094 0.156561
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.00265853 0.0476094 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.00247814 0.0422317 1
Schistosoma mansoni gliotactin 0.00234066 0.0381336 0.0189877
Echinococcus granulosus carboxylesterase 5A 0.0138529 0.381319 0.369004
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.00265853 0.0476094 0.156561
Brugia malayi Glutathione S-transferase 4 0.00206511 0.0299193 0.0275187
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.00234066 0.0381336 0.793236
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.00171615 0.0195165 0.105142
Loa Loa (eye worm) carboxylesterase 0.00234066 0.0381336 0.0239663
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.00247814 0.0422317 0.828701
Onchocerca volvulus 0.00247814 0.0422317 0.0215988
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.00265853 0.0476094 0.156561
Onchocerca volvulus 0.0070573 0.178739 0.261064
Brugia malayi Carboxylesterase family protein 0.0138529 0.381319 0.379788
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.00265853 0.0476094 0.156561
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.00265853 0.0476094 0.156561
Mycobacterium ulcerans putative regulatory protein 0.0070573 0.178739 0.604521
Loa Loa (eye worm) hypothetical protein 0.0102834 0.274909 0.26423
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.00171615 0.0195165 0.573481
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663
Trypanosoma cruzi cytochrome P450, putative 0.00265853 0.0476094 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.00234066 0.0381336 0.793236
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0114276 0.309021 0.295267
Brugia malayi Carboxylesterase family protein 0.0138529 0.381319 0.379788
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.00234066 0.0381336 0.0189877
Echinococcus granulosus glutathione S transferase 0.00206511 0.0299193 0.0106099
Echinococcus multilocularis acetylcholinesterase 0.0138529 0.381319 0.369004
Loa Loa (eye worm) hypothetical protein 0.00949128 0.251297 0.240269
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.00220039 0.0339519 0.564962
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.00171615 0.0195165 0.573481
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.00247814 0.0422317 1
Echinococcus granulosus nervana 2 0.0158692 0.441426 0.430308
Onchocerca volvulus 0.00234066 0.0381336 0.0144097
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.00171615 0.0195165 0.105142
Onchocerca volvulus 0.00234066 0.0381336 0.0144097
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.00265853 0.0476094 0.156561
Leishmania major cytochrome p450-like protein 0.00265853 0.0476094 1
Schistosoma mansoni glutathione-S-transferase 0.00270591 0.0490219 0.0300927
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.00220306 0.0340316 0.110176
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.00220039 0.0339519 0.0147228
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.00265853 0.0476094 0.156561
Schistosoma mansoni BC026374 protein (S09 family) 0.00234066 0.0381336 0.0189877
Echinococcus granulosus Na:K ATPase alpha subunit 0.011425 0.308941 0.295185
Echinococcus granulosus prostaglandin H2 D isomerase 0.00270591 0.0490219 0.0300927
Echinococcus multilocularis neuroligin 0.00234066 0.0381336 0.0189877
Echinococcus granulosus nervana 2 0.0211876 0.599968 0.592006
Trypanosoma cruzi cytochrome p450-like protein, putative 0.00265853 0.0476094 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0211876 0.599968 0.592006
Echinococcus granulosus para nitrobenzyl esterase 0.00234066 0.0381336 0.0189877
Mycobacterium leprae Conserved hypothetical protein 0.00265853 0.0476094 0.022929
Brugia malayi Cytochrome P450 family protein 0.00265853 0.0476094 0.0452526
Echinococcus multilocularis calcium transporting atpase 0.00220039 0.0339519 0.0147228
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.00265853 0.0476094 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.00265853 0.0476094 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.00247814 0.0422317 0.0281249
Loa Loa (eye worm) hypothetical protein 0.00160542 0.0162157 0.00172557
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.00220039 0.0339519 0.0147228
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.00154838 0.0145151 0.426519
Mycobacterium leprae putative cytochrome p450 0.00265853 0.0476094 0.022929
Schistosoma mansoni hypothetical protein 0.00265853 0.0476094 0.0286522
Trichomonas vaginalis adenylate cyclase, putative 0.00247814 0.0422317 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.00247814 0.0422317 0.828701
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.00220039 0.0339519 0.0147228
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0346067 1 1
Echinococcus multilocularis glutathione S transferase 0.00270591 0.0490219 0.0300927
Echinococcus multilocularis glutathione S transferase 0.00270591 0.0490219 0.0300927
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0346067 1 1
Loa Loa (eye worm) hypothetical protein 0.00234066 0.0381336 0.0239663

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.8 uM Antiprotozoal activity against Plasmodium falciparum ChEMBL. 23611656
IC50 (functional) = 19.6 uM Antitrypanosomal activity against Trypanosoma brucei rhodesiense ChEMBL. 23611656
Ki (binding) Inhibition of Trypanosoma brucei rhodesiense rhodesain ChEMBL. 23611656

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 23611656
Plasmodium falciparum ChEMBL23 23611656

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.

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