Detailed information for compound 1173371

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.989 | Formula: C27H28ClFN4
  • H donors: 1 H acceptors: 1 LogP: 6.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1c(NCCCN2CCC(CC2)c2cccc(c2)F)nc2c1cccc2
  • InChi: 1S/C27H28ClFN4/c28-22-9-11-24(12-10-22)33-26-8-2-1-7-25(26)31-27(33)30-15-4-16-32-17-13-20(14-18-32)21-5-3-6-23(29)19-21/h1-3,5-12,19-20H,4,13-18H2,(H,30,31)
  • InChiKey: BTOMEJNPPWKKEO-UHFFFAOYSA-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 melanin-concentrating hormone receptor 1 Starlite/ChEMBL References

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
Echinococcus granulosus geminin 0.073 0.7914 1
Entamoeba histolytica protein kinase, putative 0.0096 0.0905 1
Onchocerca volvulus 0.0042 0.0308 0.1155
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.02 0.0197
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0308 0.0833
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0177 0.0305
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0022 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0242 0.2519 0.318
Brugia malayi hypothetical protein 0.0016 0.0022 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0308 0.0833
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0308 0.0385
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0242 0.2519 0.2517
Toxoplasma gondii ABC1 family protein 0.0042 0.0308 0.4947
Brugia malayi latrophilin 2 splice variant baaae 0.0368 0.3921 0.6753
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0177 0.0659
Trichomonas vaginalis esterase, putative 0.0042 0.0308 0.0833
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0003 0.0006
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.1207 0.4224
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0171 0.1733 0.173
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0177 0.0174
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0308 0.0304
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.1207 0.4224
Echinococcus multilocularis musashi 0.0026 0.0138 0.0135
Echinococcus multilocularis GPCR, family 2 0.0171 0.1733 0.173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0242 0.2519 0.318
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0308 0.0385
Loa Loa (eye worm) hypothetical protein 0.0095 0.0894 0.1535
Brugia malayi hypothetical protein 0.0014 0.0003 0.0006
Echinococcus granulosus hypothetical protein 0.0064 0.0555 0.0697
Loa Loa (eye worm) hypothetical protein 0.0042 0.0308 0.0524
Schistosoma mansoni tar DNA-binding protein 0.0263 0.2753 0.3475
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0003 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0171 0.1733 0.2187
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0055 0.0094
Echinococcus multilocularis lamin 0.0026 0.0138 0.0135
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0308 0.0927
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0177 0.0299
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0153 0.1152
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0177 0.022
Echinococcus granulosus intermediate filament protein 0.0026 0.0138 0.017
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0177 0.0305
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0177 0.0305
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0566 0.0711
Leishmania major trypanothione reductase 0.0054 0.0444 0.4579
Loa Loa (eye worm) hypothetical protein 0.0042 0.0308 0.0524
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0444 0.0759
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.02 0.0248
Mycobacterium ulcerans hypothetical protein 0.0042 0.0308 0.0833
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0177 0.022
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.23 0.3957
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.0566 0.6013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0177 0.0305
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0177 0.0305
Schistosoma mansoni tar DNA-binding protein 0.0263 0.2753 0.3475
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.0566 0.6013
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0308 0.0833
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.0905 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0177 0.0174
Plasmodium falciparum thioredoxin reductase 0.0054 0.0444 0.7614
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0308 0.053
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0153 0.1915
Brugia malayi beta-lactamase family protein 0.0042 0.0308 0.053
Leishmania major hypothetical protein, conserved 0.0042 0.0308 0.2975
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0905 0.114
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0296 0.037
Schistosoma mansoni tar DNA-binding protein 0.0263 0.2753 0.3475
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0171 0.1733 0.173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0242 0.2519 0.318
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0308 0.2975
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0177 0.022
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0177 0.022
Brugia malayi RNA binding protein 0.0263 0.2753 0.4742
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.1359 0.478
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0308 0.0385
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0308 0.4947
Brugia malayi ecdysone receptor 0.0014 0.0003 0.0006
Onchocerca volvulus 0.0026 0.0138 0.0511
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0177 0.0305
Loa Loa (eye worm) glutathione reductase 0.0054 0.0444 0.0759
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0444 0.7614
Trypanosoma brucei trypanothione reductase 0.0054 0.0444 0.4579
Loa Loa (eye worm) hypothetical protein 0.0042 0.0308 0.0524
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0308 0.0833
Loa Loa (eye worm) hypothetical protein 0.0368 0.3921 0.6751
Brugia malayi conserved hypotetical protein 0.0014 0.0003 0.0006
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0177 0.0659
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0177 0.022
Schistosoma mansoni nuclear hormone receptor 0.003 0.0177 0.022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0177 0.0299
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0177 0.0174
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0096 0.0905 0.1554
Loa Loa (eye worm) glutaminase 2 0.0293 0.3089 0.5319
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0539 0.5805 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.02 0.0197
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0444 0.1427
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0296 0.037
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0003 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0177 0.0305
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0177 0.0305
Loa Loa (eye worm) hypothetical protein 0.0095 0.0894 0.1535
Loa Loa (eye worm) hypothetical protein 0.0171 0.1733 0.2981
Echinococcus multilocularis lamin dm0 0.0026 0.0138 0.0135
Mycobacterium tuberculosis Conserved protein 0.0042 0.0308 0.0927
Brugia malayi tailless protein 0.0014 0.0003 0.0006
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.02 0.0248
Leishmania major hypothetical protein, conserved 0.0028 0.0153 0.1152
Brugia malayi steroid hormone receptor 0.003 0.0177 0.0305
Schistosoma mansoni tar DNA-binding protein 0.0263 0.2753 0.3475
Onchocerca volvulus 0.0042 0.0308 0.1155
Plasmodium falciparum protein serine/threonine kinase-1 0.0065 0.0566 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0177 0.0299
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0055 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0177 0.022
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0065 0.0566 0.6013
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.02 0.0248
Loa Loa (eye worm) hypothetical protein 0.0042 0.0308 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0177 0.0299
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0566 0.0711
Echinococcus multilocularis geminin 0.073 0.7914 0.7913
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0444 0.0441
Mycobacterium ulcerans glutaminase 0.0293 0.3089 1
Schistosoma mansoni hypothetical protein 0.0368 0.3921 0.4952
Loa Loa (eye worm) hypothetical protein 0.0028 0.0153 0.0257
Giardia lamblia Kinase, CMGC CLK 0.0065 0.0566 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.1359 0.478
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0308 0.2975
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0022 0.0038
Schistosoma mansoni hypothetical protein 0.0171 0.1733 0.2187
Brugia malayi Thioredoxin reductase 0.0054 0.0444 0.0765
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0308 0.0524
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0177 0.0174
Onchocerca volvulus 0.003 0.0177 0.0659
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0177 0.0174
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0177 0.0299
Schistosoma mansoni glutaminase 0.0293 0.3089 0.3901
Schistosoma mansoni tar DNA-binding protein 0.0263 0.2753 0.3475
Schistosoma mansoni hypothetical protein 0.073 0.7914 1
Echinococcus multilocularis 0.0064 0.0555 0.0552
Plasmodium vivax serine/threonine kinase-1, putative 0.0065 0.0566 1
Onchocerca volvulus 0.0026 0.0138 0.0511
Brugia malayi TAR-binding protein 0.0263 0.2753 0.4742
Plasmodium vivax SET domain protein, putative 0.0032 0.02 0.284
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0177 0.022
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0177 0.0174
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0308 0.2975
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0308 0.0927
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0065 0.0566 0.6013
Entamoeba histolytica protein kinase domain containing protein 0.0096 0.0905 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0539 0.5805 1
Brugia malayi nuclear receptor NHR-67 0.0014 0.0003 0.0006
Brugia malayi beta-lactamase family protein 0.0042 0.0308 0.053
Brugia malayi nuclear receptor RXR 0.0014 0.0003 0.0006
Echinococcus granulosus dual specificity 0.0096 0.0905 0.114
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0187 0.0232
Echinococcus multilocularis dual specificity 0.0096 0.0905 0.0902
Brugia malayi hypothetical protein 0.004 0.0296 0.051
Onchocerca volvulus 0.0252 0.2638 1
Loa Loa (eye worm) RNA binding protein 0.0263 0.2753 0.4739
Leishmania major protein kinase, putative 0.0065 0.0566 0.6013
Brugia malayi beta-lactamase 0.0042 0.0308 0.053
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0138 0.0232
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0177 0.022
Echinococcus granulosus GPCR family 2 0.0171 0.1733 0.2187
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0032
Brugia malayi Latrophilin receptor protein 2 0.0171 0.1733 0.2986
Loa Loa (eye worm) hypothetical protein 0.0026 0.0133 0.0223
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0177 0.0305
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0177 0.022
Onchocerca volvulus 0.0042 0.0308 0.1155
Leishmania major protein kinase, putative 0.0065 0.0566 0.6013
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0232
Echinococcus granulosus tar DNA binding protein 0.0263 0.2753 0.3475
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0096 0.0905 1
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0308 0.0927
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.1207 0.4224
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0153 0.1152
Brugia malayi Protein kinase domain containing protein 0.0065 0.0566 0.0975
Brugia malayi hypothetical protein 0.0028 0.0153 0.0263
Onchocerca volvulus 0.0032 0.02 0.0746
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0138 0.0238
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.02 0.284
Echinococcus granulosus dual specificity protein kinase clk2 0.0065 0.0566 0.0711
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.1207 0.4224
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0153 0.1152
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0444 0.0557
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0171 0.1733 0.2187
Loa Loa (eye worm) hypothetical protein 0.0042 0.0308 0.0524
Brugia malayi hypothetical protein 0.0016 0.0022 0.0038
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0153 0.1915
Brugia malayi ecdysteroid receptor 0.003 0.0177 0.0305
Loa Loa (eye worm) glutaminase 0.0293 0.3089 0.5319
Brugia malayi Calcitonin receptor-like protein seb-1 0.0539 0.5805 1
Schistosoma mansoni thyroid hormone receptor 0.003 0.0177 0.022
Mycobacterium tuberculosis Conserved protein 0.0042 0.0308 0.0927
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0153 0.1915
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0177 0.022
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0055 0.0065
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0153 0.1915
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0177 0.022
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0308 0.0927
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.0566 0.6013
Mycobacterium tuberculosis Conserved protein 0.0042 0.0308 0.0927
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0055 0.0065
Brugia malayi Pre-SET motif family protein 0.0222 0.23 0.3961
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0242 0.2519 0.318
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0032
Toxoplasma gondii thioredoxin reductase 0.0054 0.0444 0.7614
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0177 0.0299
Brugia malayi nuclear receptor NHR-88 0.003 0.0177 0.0305
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0138 0.0232
Schistosoma mansoni hypothetical protein 0.004 0.0296 0.037
Brugia malayi Protein kinase domain containing protein 0.0096 0.0905 0.1559
Loa Loa (eye worm) latrophilin receptor protein 2 0.0171 0.1733 0.2981
Schistosoma mansoni lamin 0.0026 0.0138 0.017
Brugia malayi Pre-SET motif family protein 0.0032 0.02 0.0344
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0022 0.0024
Schistosoma mansoni coup transcription factor 0.003 0.0177 0.022
Trichomonas vaginalis glutaminase, putative 0.0293 0.3089 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0242 0.2519 0.434
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0263 0.2753 0.4739
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0003 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0177 0.0299
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.0566 0.6013
Loa Loa (eye worm) hypothetical protein 0.0539 0.5805 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0177 0.0305
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.1207 0.4224
Loa Loa (eye worm) hypothetical protein 0.0064 0.0555 0.0951
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0096 0.0905 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.02 0.0339
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.2783 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0308 0.0833
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0055 0.5
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0177 0.0174
Echinococcus granulosus lamin 0.0026 0.0138 0.017
Entamoeba histolytica protein kinase, putative 0.0096 0.0905 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.0905 1
Trichomonas vaginalis set domain proteins, putative 0.0252 0.2638 0.8513
Trichomonas vaginalis CMGC family protein kinase 0.0065 0.0566 0.1685
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0123 0.1207 0.8557
Mycobacterium tuberculosis Probable reductase 0.0123 0.1207 0.4224
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0171 0.1733 0.2986
Brugia malayi nuclear receptor NHR-88 0.0014 0.0003 0.0006
Brugia malayi intermediate filament protein 0.0026 0.0138 0.0238
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0177 0.022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0177 0.0305
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0022 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0177 0.0305
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0177 0.022
Brugia malayi glutaminase DH11.1 0.0293 0.3089 0.5321
Schistosoma mansoni hypothetical protein 0.0171 0.1733 0.2187
Plasmodium falciparum glutathione reductase 0.0054 0.0444 0.7614
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0177 0.022
Plasmodium vivax glutathione reductase, putative 0.0054 0.0444 0.7614
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0022 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0242 0.2519 0.318
Brugia malayi hypothetical protein 0.0018 0.0045 0.0077
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.1359 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0308 0.0927
Loa Loa (eye worm) hypothetical protein 0.0042 0.0308 0.0524
Entamoeba histolytica hypothetical protein 0.0096 0.0905 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.02 0.0248
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0055 0.0051
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0003 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0177 0.0305
Brugia malayi glutathione reductase 0.0054 0.0444 0.0765
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0177 0.0305
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0022 0.0032
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0177 0.022
Echinococcus granulosus lamin dm0 0.0026 0.0138 0.017
Schistosoma mansoni hypothetical protein 0.073 0.7914 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0308 0.0927
Loa Loa (eye worm) hypothetical protein 0.0016 0.0022 0.0032
Schistosoma mansoni thyroid hormone receptor 0.003 0.0177 0.022
Brugia malayi nuclear receptor RXR 0.0016 0.0022 0.0038
Schistosoma mansoni hypothetical protein 0.0171 0.1733 0.2187
Treponema pallidum NADH oxidase 0.0019 0.0055 0.5
Schistosoma mansoni lamin 0.0026 0.0138 0.017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0242 0.2519 0.4336
Mycobacterium ulcerans beta-lactamase 0.0042 0.0308 0.0833
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0065 0.0566 0.097
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0177 0.022
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0177 0.0174
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0177 0.022
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0022 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0308 0.0833
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0004 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0177 0.0299
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0308 0.0833
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Brugia malayi RNA recognition motif domain containing protein 0.0263 0.2753 0.4742
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0177 0.0305
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0296 0.0293
Schistosoma mansoni hypothetical protein 0.0171 0.1733 0.2187
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0177 0.0305
Brugia malayi nuclear hormone receptor 0.0014 0.0003 0.0006
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0177 0.0174
Brugia malayi hypothetical protein 0.0014 0.0003 0.0006
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0444 0.4579
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0242 0.2519 0.2517
Mycobacterium ulcerans lipase LipD 0.0042 0.0308 0.0833
Loa Loa (eye worm) hypothetical protein 0.003 0.0177 0.0299
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0055 0.5
Loa Loa (eye worm) TAR-binding protein 0.0263 0.2753 0.4739
Echinococcus granulosus FTZ F1 alpha 0.003 0.0177 0.022
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.1359 0.478
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0177 0.0659
Echinococcus multilocularis dual specificity protein kinase clk2 0.0065 0.0566 0.0563
Loa Loa (eye worm) beta-lactamase 0.0042 0.0308 0.0524
Schistosoma mansoni intermediate filament proteins 0.0026 0.0138 0.017
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0003 0.0006
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0065 0.0566 1
Echinococcus multilocularis tar DNA binding protein 0.0263 0.2753 0.275
Brugia malayi nuclear hormone receptor 0.003 0.0177 0.0305
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0308 0.0927
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.02 0.0248

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 261 nM Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay ChEMBL. 20724156
IC50 (functional) = 6320 nM Antagonist activity at human recombinant MCHR1 expressed in CHOK1 cells assessed as reduction in [3H]inositol phosphate levels by scintillation proximity assay ChEMBL. 20724156

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.

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