Detailed information for compound 1755339

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 514.582 | Formula: C28H33F3N4O2
  • H donors: 1 H acceptors: 2 LogP: 5.37 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1nc(n2c1C(CCc1ccc(cc1)C(F)(F)F)N(CC2)[C@H](c1ccccc1)C(=O)NC)CC
  • InChi: 1S/C28H33F3N4O2/c1-4-23-33-27(37-5-2)25-22(16-13-19-11-14-21(15-12-19)28(29,30)31)34(17-18-35(23)25)24(26(36)32-3)20-9-7-6-8-10-20/h6-12,14-15,22,24H,4-5,13,16-18H2,1-3H3,(H,32,36)/t22?,24-/m1/s1
  • InChiKey: JGECFWQLDYUCBG-SYIFMXBLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypocretin (orexin) receptor 2 Starlite/ChEMBL References
Homo sapiens hypocretin (orexin) receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma mansoni neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus granulosus neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis G protein coupled receptor 139 Get druggable targets OG5_127863 All targets in OG5_127863
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus sex peptide receptor hypocretin (orexin) receptor 1 425 aa 350 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.003 0.0073
Leishmania major p-glycoprotein 0.0021 0.0016 0.0021
Brugia malayi RNA, U transporter 1 0.0079 0.0253 0.0334
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0029 0.0066
Loa Loa (eye worm) hypothetical protein 0.0094 0.0312 0.2715
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.0011 0.0000046659
Trypanosoma brucei telomerase reverse transcriptase 0.0678 0.2682 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0082 0.0266 0.0977
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0029 0.0252
Brugia malayi Transient-receptor-potential like protein 0.0035 0.0073 0.0086
Schistosoma mansoni hypothetical protein 0.0068 0.0208 0.1753
Plasmodium vivax multidrug resistance protein 1, putative 0.0021 0.0016 0.0046
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0079 0.0605
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0021 0.0016 0.0225
Mycobacterium leprae Probable lipase LipE 0.0035 0.0073 0.2465
Plasmodium vivax telomerase reverse transcriptase, putative 0.0678 0.2682 1
Echinococcus multilocularis insulin receptor 0.0047 0.0121 0.0115
Echinococcus granulosus epidermal growth factor receptor 0.0146 0.0525 0.4569
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0073 0.0169
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0021 0.0016 0.0021
Echinococcus granulosus snurportin 1 0.0297 0.1137 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0021 0.0016 0.0225
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.0485 0.4214
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0082 0.0266 0.0977
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0073 0.0558
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0015 0.0004
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0025
Mycobacterium ulcerans oxidoreductase 0.0082 0.0266 0.056
Brugia malayi beta-lactamase family protein 0.0035 0.0073 0.0087
Leishmania major hypothetical protein, conserved 0.0035 0.0073 0.0234
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0678 0.2682 1
Schistosoma mansoni transient receptor potential channel 0.0062 0.0183 0.1529
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0082 0.0266 0.2263
Chlamydia trachomatis protoporphyrinogen oxidase 0.0082 0.0266 0.1075
Loa Loa (eye worm) TK/EGFR protein kinase 0.0146 0.0525 0.4601
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0016 0.0006
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0004 0.0009
Brugia malayi multidrug resistance protein 3 0.0021 0.0016 0.0008
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.0312 0.0313
Mycobacterium ulcerans hypothetical protein 0.0035 0.0073 0.0149
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.0011 0.0014
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0277 0.1054 0.1441
Toxoplasma gondii histone lysine-specific demethylase 0.0082 0.0266 0.0955
Plasmodium falciparum multidrug resistance protein 1 0.0021 0.0016 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0443 0.3834
Echinococcus granulosus Protein patched homolog 1 0.0084 0.0271 0.2313
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0016 0.0052
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.0053
Entamoeba histolytica P-glycoprotein-1 0.0021 0.0016 0.0082
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0678 0.2682 1
Echinococcus multilocularis geminin 0.0165 0.06 0.0613
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0005
Echinococcus multilocularis 0.0045 0.0115 0.0109
Giardia lamblia Replication factor C, subunit 1 0.002 0.0011 0.0006
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0073 0.0065
Onchocerca volvulus 0.0035 0.0073 0.0063
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0618 0.2436 0.5206
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.003 0.0098
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.0485 0.4248
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0082 0.0266 0.0265
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0607
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0195 0.0723 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Schistosoma mansoni tyrosine kinase 0.0078 0.0247 0.21
Echinococcus multilocularis G protein coupled receptor 139 0.0128 0.0451 0.0458
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0073 0.0169
Echinococcus multilocularis tar DNA binding protein 0.0126 0.0443 0.0449
Schistosoma mansoni ran 0.0021 0.0015 0.0035
Toxoplasma gondii ABC1 family protein 0.0035 0.0073 0.0235
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0029 0.0066
Leishmania major GTP-binding protein, putative 0.0021 0.0015 0.0014
Brugia malayi CHE-14 protein 0.0084 0.0271 0.036
Trichomonas vaginalis ABC transporter, putative 0.0021 0.0016 0.0225
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0183 0.0179
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0613
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.0485 0.4214
Brugia malayi beta-lactamase 0.0035 0.0073 0.0087
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.003 0.0073
Toxoplasma gondii ATPase, AAA family protein 0.002 0.0011 0.0000012448
Schistosoma mansoni neuropeptide receptor 0.0128 0.0451 0.3913
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0073 0.2412
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0231
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0266 0.0977
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0021 0.0015 0.0036
Echinococcus multilocularis protein patched 0.0084 0.0271 0.0271
Brugia malayi Niemann-Pick C1 protein precursor 0.0195 0.0723 0.0984
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0059 0.0434
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0183 0.1529
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.0053
Trichomonas vaginalis esterase, putative 0.0035 0.0073 0.2412
Echinococcus granulosus tar DNA binding protein 0.0126 0.0443 0.3834
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0618 0.2436 0.5206
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0336 0.045
Toxoplasma gondii RNA-directed DNA polymerase 0.0678 0.2682 1
Schistosoma mansoni tyrosine kinase 0.0078 0.0247 0.21
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0044 0.0127
Entamoeba histolytica ABC transporter, putative 0.002 0.0011 0.0004
Leishmania major telomerase reverse transcriptase, putative 0.0678 0.2682 1
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0011 0.0002
Brugia malayi Common central domain of tyrosinase family protein 0.0277 0.1054 0.1441
Mycobacterium ulcerans hypothetical protein 0.0024 0.0029 0.0053
Schistosoma mansoni tyrosinase precursor 0.0277 0.1054 0.9257
Echinococcus granulosus sterol regulatory element binding protein 0.0084 0.0271 0.2313
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0073 0.2412
Trypanosoma cruzi ATP-binding cassette protein, putative 0.002 0.0011 0.0001
Loa Loa (eye worm) hypothetical protein 0.0195 0.0723 0.6345
Schistosoma mansoni hypothetical protein 0.0032 0.0059 0.0434
Echinococcus multilocularis epidermal growth factor receptor 0.0146 0.0525 0.0535
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0208 0.0273
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0073 0.0169
Echinococcus multilocularis protein dispatched 1 0.0096 0.0319 0.0321
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0015 0.0039
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.0443 0.0597
Loa Loa (eye worm) hypothetical protein 0.0032 0.006 0.0496
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0257 0.3455
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0029 0.0053
Brugia malayi hypothetical protein 0.0082 0.0266 0.0352
Mycobacterium ulcerans beta-lactamase 0.0035 0.0073 0.0149
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0082 0.0266 0.2263
Brugia malayi Furin-like cysteine rich region family protein 0.0146 0.0525 0.0711
Trichomonas vaginalis ran, putative 0.0021 0.0015 0.0152
Schistosoma mansoni hypothetical protein 0.0081 0.0259 0.2204
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0618 0.2436 0.9085
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0059 0.0051
Trypanosoma cruzi UDP-galactopyranose mutase 0.0082 0.0266 0.0955
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0016 0.0022
Echinococcus granulosus epidermal growth factor receptor 0.0079 0.0251 0.213
Loa Loa (eye worm) hypothetical protein 0.0082 0.0266 0.2308
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Mycobacterium tuberculosis Conserved protein 0.0035 0.0073 0.0169
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0025
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.0011 0.0025
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.003 0.0098
Schistosoma mansoni ran 0.0021 0.0015 0.0035
Echinococcus multilocularis 0.0082 0.0266 0.0265
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0082 0.0266 0.0977
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.0121 0.1034
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0011 0.00000034565
Schistosoma mansoni transient receptor potential channel 0.0062 0.0183 0.1529
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0613
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0029 0.0053
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0016 0.0006
Brugia malayi Telomerase reverse transcriptase 0.1805 0.725 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0015 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0443 0.3834
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0443 0.3834
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.2391 0.9629 1
Brugia malayi beta-lactamase family protein 0.0035 0.0073 0.0087
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0073 0.0613
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0021 0.0016 0.0225
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.002 0.0011 0.0001
Schistosoma mansoni hypothetical protein 0.0165 0.06 0.523
Loa Loa (eye worm) TAR-binding protein 0.0126 0.0443 0.3869
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0015 0.0015
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0073 0.0149
Onchocerca volvulus 0.0277 0.1054 0.1044
Entamoeba histolytica hypothetical protein 0.0023 0.0023 0.0174
Schistosoma mansoni amine oxidase 0.0082 0.0266 0.2263
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0058
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0618 0.2436 0.5206
Entamoeba histolytica hypothetical protein 0.0036 0.0079 0.0957
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0082 0.0266 0.0977
Onchocerca volvulus 0.0082 0.0266 0.0255
Schistosoma mansoni transient receptor potential channel 0.0094 0.0312 0.2672
Echinococcus multilocularis neuropeptide receptor 0.0128 0.0451 0.0458
Loa Loa (eye worm) hypothetical protein 0.0277 0.1054 0.9261
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0084 0.0271 0.2357
Echinococcus granulosus neuropeptide receptor 0.0128 0.0451 0.3913
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.0485 0.0656
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0029 0.0252
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0073 0.2412
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0336 0.2931
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0613
Echinococcus granulosus expressed conserved protein 0.0183 0.0675 0.5898
Entamoeba histolytica hypothetical protein 0.0036 0.0079 0.0957
Schistosoma mansoni hypothetical protein 0.0032 0.0059 0.0434
Onchocerca volvulus 0.0277 0.1054 0.1044
Loa Loa (eye worm) ShTK domain-containing protein 0.0277 0.1054 0.9261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.0485 0.4214
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0073 0.0235
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.003 0.0098
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0029 0.0066
Brugia malayi hypothetical protein 0.0024 0.003 0.0027
Echinococcus granulosus insulin receptor 0.0047 0.0121 0.0982
Brugia malayi ShTK domain containing protein 0.0277 0.1054 0.1441
Plasmodium falciparum importin beta, putative 0.0028 0.0044 0.0151
Onchocerca volvulus 0.0035 0.0073 0.0063
Trichomonas vaginalis abcb9, putative 0.0021 0.0016 0.0225
Loa Loa (eye worm) multidrug resistance protein 3 0.0021 0.0016 0.011
Mycobacterium ulcerans lipase LipD 0.0035 0.0073 0.0149
Echinococcus granulosus lysine specific histone demethylase 1A 0.0082 0.0266 0.2263
Schistosoma mansoni multidrug resistance protein 0.0021 0.0016 0.0052
Leishmania major UDP-galactopyranose mutase 0.0082 0.0266 0.0954
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0217
Echinococcus granulosus replication factor c subunit 1 0.002 0.0011 0.0000029507
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0613
Brugia malayi TAR-binding protein 0.0126 0.0443 0.0597
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.0299 0.256
Entamoeba histolytica P-glyco protein 6, putative 0.0021 0.0016 0.0082
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.0073 0.0552
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.0485 0.0494
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0271 1
Schistosoma mansoni tyrosinase precursor 0.0277 0.1054 0.9257
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0618 0.2436 1
Echinococcus granulosus geminin 0.0165 0.06 0.523
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0217
Plasmodium falciparum protoporphyrinogen oxidase 0.0082 0.0266 0.0977
Loa Loa (eye worm) hypothetical protein 0.0082 0.0266 0.2308
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0058
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0073 0.0259
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.0121 0.0982
Trichomonas vaginalis ABC transporter, putative 0.0021 0.0016 0.0225
Loa Loa (eye worm) hypothetical protein 0.0082 0.0266 0.2308
Onchocerca volvulus 0.0277 0.1054 0.1044
Schistosoma mansoni multidrug resistance protein 0.0021 0.0016 0.0052
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0073 0.0169
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0044 0.0035
Plasmodium vivax importin-beta 2, putative 0.0028 0.0044 0.0151
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0073 0.0558
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0073 0.0235
Loa Loa (eye worm) hypothetical protein 0.0068 0.0208 0.1801
Echinococcus multilocularis epidermal growth factor receptor 0.0079 0.0251 0.0249
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0336 0.045
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0016 0.0006
Entamoeba histolytica P-glycoprotein-2 0.0021 0.0016 0.0082
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0016 0.0006
Trypanosoma brucei ATP-binding cassette protein, putative 0.002 0.0011 0.0001
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Entamoeba histolytica P-glycoprotein-2 0.0021 0.0016 0.0082
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.117 0.4677 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.0299 0.03
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0021 0.0016 0.0038
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0015 0.0015
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0257 0.3455
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0016 0.0052
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.002 0.0011 0.0015
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0277 0.1054 0.1441
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0059 0.0051
Schistosoma mansoni smdr2 0.0021 0.0016 0.0052
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Leishmania major hypothetical protein, conserved 0.0024 0.003 0.0072
Echinococcus granulosus importin subunit beta 1 0.0028 0.0044 0.03
Schistosoma mansoni hypothetical protein 0.0032 0.0059 0.0434
Brugia malayi hypothetical protein 0.0036 0.0079 0.0094
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0059 0.049
Mycobacterium tuberculosis Conserved protein 0.0035 0.0073 0.0169
Treponema pallidum DNA ligase (lig) 0.002 0.0011 0.5
Mycobacterium ulcerans dehydrogenase 0.0082 0.0266 0.056
Loa Loa (eye worm) tyrosinase 1 0.0277 0.1054 0.9261
Schistosoma mansoni multidrug resistance protein 0.0021 0.0016 0.0052
Schistosoma mansoni patched 1 0.0084 0.0271 0.2313
Trichomonas vaginalis taga, putative 0.0021 0.0016 0.0225
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0029 0.0066
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0613
Plasmodium falciparum ABC transporter G family member 2 0.002 0.0011 0.0026
Trypanosoma cruzi UDP-galactopyranose mutase 0.0082 0.0266 0.0955
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.0485 0.0494
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0058
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0073 0.0169
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0029 0.0025
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0021 0.0016 0.0225
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0029 0.0053
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0029 0.0704
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.003 0.0073
Echinococcus granulosus Niemann Pick C1 protein 0.0195 0.0723 0.6324
Echinococcus multilocularis GPCR, family 2 0.0032 0.0059 0.0051
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0023 0.0047
Loa Loa (eye worm) hypothetical protein 0.0059 0.017 0.1467
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0021 0.0016 0.0225
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.0011 0.0000029507
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.002 0.0011 0.0015
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0082 0.0266 0.056
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0073 0.0235
Schistosoma mansoni amine oxidase 0.0082 0.0266 0.2263
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0443 0.3834
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Giardia lamblia Telomerase catalytic subunit 0.0678 0.2682 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0266 0.0977
Brugia malayi SWIRM domain containing protein 0.0082 0.0266 0.0352
Schistosoma mansoni tyrosine kinase 0.0079 0.0251 0.213
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0016 0.0006
Schistosoma mansoni hypothetical protein 0.0081 0.0259 0.2204
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0183 0.1529
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0029 0.0053
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0356
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0073 0.0169
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0079 0.0605
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0011 0.0002
Schistosoma mansoni tyrosine kinase 0.0047 0.0121 0.0982
Chlamydia trachomatis DNA ligase 0.002 0.0011 0.0027
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Schistosoma mansoni hypothetical protein 0.0081 0.0259 0.2204
Trichomonas vaginalis abcb9, putative 0.0021 0.0016 0.0225
Mycobacterium ulcerans monoamine oxidase 0.0082 0.0266 0.056
Trichomonas vaginalis abcb9, putative 0.0021 0.0016 0.0225
Entamoeba histolytica P-glycoprotein-2, putative 0.0021 0.0016 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.0485 0.4214
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0073 0.2465
Trypanosoma brucei ABC transporter, putative 0.002 0.0011 0.0001
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0021 0.0016 0.0022
Entamoeba histolytica P-glycoprotein-5 0.0021 0.0016 0.0082
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.002 0.0011 0.0002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.0443 0.3869
Brugia malayi amine oxidase, flavin-containing family protein 0.0082 0.0266 0.0352
Echinococcus multilocularis Niemann Pick C1 protein 0.0195 0.0723 0.0741
Loa Loa (eye worm) hypothetical protein 0.0277 0.1054 0.9261
Echinococcus multilocularis protoporphyrinogen oxidase 0.0082 0.0266 0.0265
Brugia malayi Importin beta-1 subunit 0.0028 0.0044 0.0047
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0073 0.0558
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.1137 1
Plasmodium falciparum telomerase reverse transcriptase 0.0678 0.2682 1
Brugia malayi RNA binding protein 0.0126 0.0443 0.0597
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0021 0.0016 0.0225
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0016 0.0052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0073 0.0149
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0058
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0059 0.0068
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0021 0.0016 0.0051
Schistosoma mansoni hypothetical protein 0.0081 0.0259 0.2204
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.011
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0029 0.0066
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0016 0.0052
Echinococcus multilocularis snurportin 1 0.0297 0.1137 0.1171
Onchocerca volvulus 0.0021 0.0016 0.0006
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0016 0.0006
Entamoeba histolytica Ran family GTPase 0.0021 0.0015 0.0056
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1088 0.4342 1
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.0011 0.0025
Trichomonas vaginalis ABC transporter, putative 0.0021 0.0016 0.0225
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.117 0.4677 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0059 0.0434
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0082 0.0266 0.0955
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0058
Plasmodium vivax ABC transporter G family member 2, putative 0.002 0.0011 0.0026
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0016 0.0006
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0618 0.2436 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0271 0.2357
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0021 0.0016 0.011
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0121 0.0115
Echinococcus granulosus lysine specific histone demethylase 1A 0.0082 0.0266 0.2263
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.003 0.0073
Echinococcus multilocularis Niemann Pick C1 protein 0.0279 0.1063 0.1094
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.0312 0.2672
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0044 0.0127
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.0839 0.1932
Onchocerca volvulus 0.0277 0.1054 0.1044
Loa Loa (eye worm) hypothetical protein 0.0082 0.0266 0.2308
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Onchocerca volvulus 0.0035 0.0073 0.0063
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0618 0.2436 0.9085
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0073 0.0169
Schistosoma mansoni hypothetical protein 0.0297 0.1137 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0082 0.0266 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0029 0.0704
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0079 0.0071
Loa Loa (eye worm) hypothetical protein 0.0035 0.0073 0.0613
Schistosoma mansoni hypothetical protein 0.0032 0.0059 0.0434
Loa Loa (eye worm) RNA binding protein 0.0126 0.0443 0.3869
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.002 0.0011 0.0015
Loa Loa (eye worm) hypothetical protein 0.0024 0.0029 0.0217
Echinococcus multilocularis sterol regulatory element binding protein 0.0084 0.0271 0.0271
Schistosoma mansoni tyrosine kinase 0.0079 0.0251 0.213
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0023 0.0477
Loa Loa (eye worm) ShTK domain-containing protein 0.0277 0.1054 0.9261
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0021
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0044 0.0127
Schistosoma mansoni tyrosine kinase 0.0078 0.0247 0.21
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0257 0.3455
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0058
Brugia malayi Protein kinase domain containing protein 0.0047 0.0121 0.0153
Schistosoma mansoni tyrosine kinase 0.0146 0.0525 0.4569
Schistosoma mansoni tyrosine kinase 0.0047 0.0121 0.0982
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0198 0.0735 0.6433
Loa Loa (eye worm) hypothetical protein 0.0021 0.0015 0.0094
Loa Loa (eye worm) hypothetical protein 0.01 0.0336 0.2931
Schistosoma mansoni importin beta-1 0.0028 0.0044 0.03
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0023 0.0477
Loa Loa (eye worm) hypothetical protein 0.0082 0.0266 0.2308
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0015 0.0015
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0257 0.3455
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0443 0.3834
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.0312 0.2672
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0257 0.3455
Loa Loa (eye worm) hypothetical protein 0.0082 0.0266 0.2308
Loa Loa (eye worm) beta-lactamase 0.0035 0.0073 0.0613
Brugia malayi ABC transporter family protein 0.0021 0.0016 0.0008
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.011
Onchocerca volvulus 0.0024 0.0029 0.0018
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0011 0.0002
Mycobacterium tuberculosis Conserved hypothetical protein 0.0082 0.0266 0.0612
Echinococcus granulosus Niemann Pick C1 protein 0.0279 0.1063 0.9339
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0073 0.2412
Leishmania major importin beta-1 subunit, putative 0.0023 0.0023 0.0046
Entamoeba histolytica P-glycoprotein 5, putative 0.0021 0.0016 0.0082
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0073 0.0087
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0016 0.0052
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0029 0.0053
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0016 0.0052
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0021 0.0016 0.0225
Mycobacterium tuberculosis Conserved protein 0.0035 0.0073 0.0169
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0093
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0277 0.1054 0.1441
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0015 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.0485 0.4214
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0277 0.1054 0.1441
Echinococcus granulosus GPCR family 2 0.0032 0.0059 0.0434
Trypanosoma cruzi ABC transporter, putative 0.002 0.0011 0.0001
Loa Loa (eye worm) hypothetical protein 0.0103 0.0348 0.3032
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0039
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0021 0.0016 0.0225
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0016 0.0052
Schistosoma mansoni hypothetical protein 0.0165 0.06 0.523
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.0073 0.0065
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0183 0.0179
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0029 0.0252
Echinococcus multilocularis expressed conserved protein 0.0183 0.0675 0.0691
Entamoeba histolytica hypothetical protein 0.0036 0.0079 0.0957
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0618 0.2436 0.5611
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0023 0.0477
Mycobacterium tuberculosis Possible oxidoreductase 0.0082 0.0266 0.0612
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0073 0.2412
Schistosoma mansoni hypothetical protein 0.0036 0.0079 0.0605
Entamoeba histolytica hypothetical protein 0.0036 0.0079 0.0957
Trichomonas vaginalis ABC transporter, putative 0.0021 0.0016 0.0225
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0079 0.0251 0.213
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0015 0.0004
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0016 0.0225
Loa Loa (eye worm) hypothetical protein 0.0032 0.0059 0.049

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2746 nM Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay ChEMBL. 23434414
IC50 (binding) = 3980 nM Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay ChEMBL. 23434414

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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