Detailed information for compound 21175

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.534 | Formula: C25H32N2O2
  • H donors: 2 H acceptors: 1 LogP: 5.82 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)NC[C@@H]1C[C@H]1c1cccc2c1OC(N2)CCCCc1ccccc1
  • InChi: 1S/C25H32N2O2/c1-17(2)25(28)26-16-19-15-21(19)20-12-8-13-22-24(20)29-23(27-22)14-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,12-13,17,19,21,23,27H,6-7,11,14-16H2,1-2H3,(H,26,28)/t19-,21+,23?/m0/s1
  • InChiKey: DUVQUANDZLREPW-ZPVUCFGCSA-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 melatonin receptor 1B Starlite/ChEMBL References
Homo sapiens melatonin receptor 1A 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein melatonin receptor 1B 362 aa 329 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0036 0.0117 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Loa Loa (eye worm) hypothetical protein 0.005 0.0193 0.0421
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0019 0.0022 0.0054
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0112 0.0269
Trypanosoma cruzi Aminopeptidase M1, putative 0.0035 0.0112 0.0269
Echinococcus multilocularis lamin 0.0027 0.0068 0.0088
Loa Loa (eye worm) hypothetical protein 0.0025 0.0059 0.0128
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0023 0.0045 0.0091
Brugia malayi hypothetical protein 0.0035 0.0112 0.0243
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0029 0.0156
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0357 0.185 0.6957
Loa Loa (eye worm) hypothetical protein 0.0087 0.0388 0.0847
Echinococcus granulosus adenosine kinase 0.0087 0.0388 0.055
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0011 0.0013
Brugia malayi Pax transcription factor protein 2 0.0243 0.1235 0.2693
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0026 0.0027
Trypanosoma brucei trypanothione reductase 0.0048 0.0179 0.0449
Onchocerca volvulus 0.0243 0.1235 0.2824
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Brugia malayi PXA domain containing protein 0.0019 0.0026 0.0056
Echinococcus multilocularis adam 0.0032 0.0096 0.0129
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0019 0.0022 0.0054
Brugia malayi Thioredoxin reductase 0.0048 0.0179 0.0391
Plasmodium vivax SET domain protein, putative 0.003 0.0084 0.0074
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0029 0.0032
Echinococcus granulosus leucine aminopeptidase protein 0.0107 0.0497 0.0707
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0021 0.0036 0.0041
Loa Loa (eye worm) peptidase family M1 containing protein 0.0097 0.0445 0.097
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0026 0.0056
Onchocerca volvulus 0.003 0.0084 0.0038
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0007 0.0016
Echinococcus multilocularis bloom syndrome protein 0.002 0.0029 0.0032
Leishmania major polypeptide deformylase-like protein, putative 0.0713 0.3767 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0064
Brugia malayi hypothetical protein 0.0019 0.0026 0.0056
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0026 0.0027
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0023 0.0045 0.0054
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0435 0.227 0.2262
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0193 0.0421
Treponema pallidum polypeptide deformylase (def) 0.1868 1 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.1299 0.6932 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0097
Plasmodium falciparum thioredoxin reductase 0.0048 0.0179 0.0169
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0059 0.0048
Brugia malayi hypothetical protein 0.0036 0.0117 0.0256
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0107 0.0497 0.0487
Schistosoma mansoni adenosine kinase 0.0087 0.0388 0.1439
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0088 0.0397 0.0563
Loa Loa (eye worm) zinc metallopeptidase 4 0.007 0.0298 0.065
Schistosoma mansoni hypothetical protein 0.0034 0.0107 0.0377
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0026 0.0056
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.007 0.0298 0.1097
Trypanosoma cruzi adenosine kinase, putative 0.0087 0.0388 0.1006
Trichomonas vaginalis set domain proteins, putative 0.024 0.1214 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0112 0.0269
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0179 0.0169
Loa Loa (eye worm) hypothetical protein 0.0357 0.185 0.4035
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0084 0.029
Schistosoma mansoni DNA helicase recq1 0.002 0.0029 0.0083
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0026 0.0056
Echinococcus multilocularis lamin dm0 0.0027 0.0068 0.0088
Schistosoma mansoni leucine aminopeptidase 0.0021 0.0036 0.0108
Brugia malayi Matrixin family protein 0.0864 0.4584 1
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.007 0.0298 0.1097
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0179 0.0248
Onchocerca volvulus 0.0077 0.0335 0.0646
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0107 0.0497 0.1295
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0056
Schistosoma mansoni hypothetical protein 0.0036 0.0117 0.0416
Echinococcus multilocularis endothelin converting enzyme 1 0.0287 0.1467 0.2108
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0026 0.0027
Brugia malayi Adenosine kinase-like 0.0087 0.0388 0.0847
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0287 0.1467 0.1458
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0056
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0026 0.0126
Schistosoma mansoni hypothetical protein 0.0075 0.0325 0.1199
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1868 1 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0029 0.0019
Brugia malayi Matrixin family protein 0.0357 0.185 0.4035
Trypanosoma brucei Polypeptide deformylase 1 0.0713 0.3767 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.051 0.05
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0107 0.0497 0.1295
Brugia malayi Matrixin family protein 0.0357 0.185 0.4035
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0187 0.0928 0.3479
Echinococcus granulosus intermediate filament protein 0.0027 0.0068 0.0088
Brugia malayi Peptidase family M13 containing protein 0.0287 0.1467 0.3201
Brugia malayi hypothetical protein 0.0025 0.0059 0.0128
Echinococcus granulosus adam 0.0032 0.0096 0.0129
Plasmodium falciparum M17 leucyl aminopeptidase 0.0107 0.0497 0.0487
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0026 0.0027
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0021 0.0036 0.0078
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0026 0.0056
Loa Loa (eye worm) hypothetical protein 0.0217 0.1091 0.2379
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.051 0.0013
Brugia malayi Matrixin family protein 0.0357 0.185 0.4035
Mycobacterium ulcerans peptide deformylase 0.1868 1 1
Echinococcus granulosus aminopeptidase N 0.012 0.0568 0.081
Schistosoma mansoni neprilysin-2 (M13 family) 0.0145 0.0701 0.2621
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.0608 0.0868
Plasmodium falciparum peptide deformylase 0.1868 1 1
Onchocerca volvulus 0.012 0.0568 0.121
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0026 0.0027
Loa Loa (eye worm) hypothetical protein 0.0107 0.0501 0.1093
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0059 0.0128
Echinococcus multilocularis thyroid hormone receptor alpha 0.0138 0.0663 0.0947
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.051 0.05
Mycobacterium leprae probable zinc metalloprotease 0.0287 0.1467 0.1021
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0032 0.0096 0.0336
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0026 0.0027
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0179 0.0449
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0026 0.0027
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0021 0.0036 0.0078
Schistosoma mansoni hypothetical protein 0.0075 0.0325 0.1199
Onchocerca volvulus Matrilysin homolog 0.0357 0.185 0.4313
Onchocerca volvulus 0.024 0.1214 0.2774
Schistosoma mansoni hypothetical protein 0.0075 0.0325 0.1199
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0088 0.0397 0.0866
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0084 0.029
Trypanosoma brucei adenosine kinase, putative 0.0087 0.0388 0.1006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0117 0.0159
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0026 0.007
Onchocerca volvulus 0.0035 0.0112 0.0105
Echinococcus granulosus adam 17 protease 0.0205 0.1029 0.1475
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0026 0.0126
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0026 0.0027
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0026 0.007
Mycobacterium ulcerans hydrolase 0.0435 0.227 0.2262
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0019
Trypanosoma cruzi Peptide deformylase 2, putative 0.0713 0.3767 1
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0026 0.0027
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0026 0.007
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0575 0.0565
Echinococcus granulosus geminin 0.0171 0.0846 0.1211
Onchocerca volvulus 0.0142 0.0687 0.1498
Brugia malayi glutathione reductase 0.0048 0.0179 0.0391
Echinococcus granulosus bloom syndrome protein 0.002 0.0029 0.0032
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0107 0.0497 0.1295
Schistosoma mansoni hypothetical protein 0.0075 0.0325 0.1199
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0026 0.007
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0026 0.0056
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0059 0.0128
Loa Loa (eye worm) hypothetical protein 0.0357 0.185 0.4035
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0107 0.0497 0.0487
Brugia malayi Matrixin family protein 0.0357 0.185 0.4035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0193 0.0421
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.051 0.05
Echinococcus multilocularis musashi 0.0027 0.0068 0.0088
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0019 0.0022 0.0021
Entamoeba histolytica recQ family helicase, putative 0.002 0.0029 0.0387
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0026 0.0027
Loa Loa (eye worm) hypothetical protein 0.0085 0.0378 0.0824
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0026 0.007
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0287 0.1467 0.5513
Brugia malayi hypothetical protein 0.0019 0.0026 0.0056
Loa Loa (eye worm) peptidase family M13 containing protein 0.0212 0.1064 0.2321
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0021 0.0036 0.0108
Mycobacterium ulcerans aminopeptidase N PepN 0.0035 0.0112 0.0101
Brugia malayi Peptidase family M1 containing protein 0.012 0.0568 0.1239
Loa Loa (eye worm) matrixin family protein 0.0793 0.4198 0.9159
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0026 0.007
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0026 0.0056
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0068 0.0149
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0029 0.0064
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0026 0.007
Schistosoma mansoni hypothetical protein 0.0507 0.2655 1
Schistosoma mansoni lamin 0.0027 0.0068 0.0231
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0026 0.0056
Schistosoma mansoni hypothetical protein 0.0075 0.0325 0.1199
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.082 0.4346 0.6266
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0117 0.0159
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0026 0.007
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.051 0.05
Schistosoma mansoni adenosine kinase 0.0087 0.0388 0.1439
Onchocerca volvulus 0.0507 0.2655 0.6264
Loa Loa (eye worm) hypothetical protein 0.0212 0.1064 0.2321
Loa Loa (eye worm) hypothetical protein 0.0435 0.227 0.4952
Loa Loa (eye worm) hypothetical protein 0.0357 0.185 0.4035
Echinococcus multilocularis disintegrin and metalloproteinase 0.0019 0.0022 0.0021
Echinococcus multilocularis aminopeptidase N 0.012 0.0568 0.081
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0011 0.0005
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0084 0.0111
Entamoeba histolytica hypothetical protein 0.0036 0.0117 1
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0026 0.007
Schistosoma mansoni thyroid hormone receptor 0.0138 0.0663 0.2477
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0035 0.0112 0.0394
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0016
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0117 0.0416
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.007 0.0298 0.1097
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0026 0.007
Toxoplasma gondii hypothetical protein 0.1868 1 1
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Brugia malayi Pre-SET motif family protein 0.021 0.1057 0.2306
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0026 0.007
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0007 0.0016
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0179 0.0391
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0023 0.0045 0.0141
Schistosoma mansoni thyroid hormone receptor 0.0138 0.0663 0.2477
Brugia malayi PXA domain containing protein 0.0019 0.0026 0.0056
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0713 0.3767 1
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0145 0.0701 0.2621
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0036 0.0041
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0149
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.007 0.0298 0.1097
Loa Loa (eye worm) aminopeptidase N 0.0035 0.0112 0.0243
Mycobacterium leprae PROBABLE HYDROLASE 0.0435 0.227 0.1865
Loa Loa (eye worm) hypothetical protein 0.0142 0.0687 0.1499
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0084 0.029
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0117 0.0553 0.0788
Schistosoma mansoni dihydroceramide desaturase 0.0019 0.0022 0.0054
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0084 0.0373 0.1381
Loa Loa (eye worm) hypothetical protein 0.0212 0.1064 0.2321
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0029 0.005
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0056
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0059 0.0048
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0179 0.0169
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0036 0.0041
Loa Loa (eye worm) glutathione reductase 0.0048 0.0179 0.0391
Schistosoma mansoni intermediate filament proteins 0.0027 0.0068 0.0231
Loa Loa (eye worm) matrix metalloproteinase 0.0357 0.185 0.4035
Loa Loa (eye worm) hypothetical protein 0.0217 0.1091 0.2379
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0026 0.0027
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0035 0.0112 0.0839
Entamoeba histolytica hypothetical protein 0.0036 0.0117 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0026 0.0126
Entamoeba histolytica hypothetical protein 0.0036 0.0117 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0084 0.0111
Trypanosoma cruzi adenosine kinase, putative 0.0087 0.0388 0.1006
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0029 0.0156
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0107 0.0497 0.1295
Toxoplasma gondii leucyl aminopeptidase LAP 0.0107 0.0497 0.0487
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.0608 0.0868
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0035 0.0112 0.0269
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0026 0.0027
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0021 0.0036 0.0078
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0029 0.005
Loa Loa (eye worm) pax transcription factor protein 2 0.0243 0.1235 0.2693
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1868 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0064
Trypanosoma cruzi Peptide deformylase 2, putative 0.0713 0.3767 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0035 0.0112 0.0839
Loa Loa (eye worm) hypothetical protein 0.0027 0.0066 0.0143
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0035 0.0112 0.0394
Onchocerca volvulus Matrilysin homolog 0.0793 0.4198 1
Loa Loa (eye worm) hypothetical protein 0.0287 0.1467 0.3201
Schistosoma mansoni hypothetical protein 0.0127 0.0608 0.2269
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0021 0.0036 0.0078
Toxoplasma gondii peptidase family M13 protein 0.0287 0.1467 0.1458
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0575 0.0565
Brugia malayi peptidase family M13 containing protein 0.007 0.0298 0.065
Plasmodium vivax peptide deformylase, putative 0.1868 1 1
Brugia malayi Disintegrin family protein 0.0019 0.0022 0.0047
Echinococcus granulosus disintegrin and metalloproteinase 0.0019 0.0022 0.0021
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0084 0.0074
Loa Loa (eye worm) hypothetical protein 0.0217 0.1091 0.2379
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0029 0.0032
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0026 0.007
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0075 0.0325 0.1199
Echinococcus granulosus lamin 0.0027 0.0068 0.0088
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1299 0.6932 1
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0029 0.0064
Schistosoma mansoni hypothetical protein 0.0171 0.0846 0.3167
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0029 0.0032
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0145 0.0701 0.2621
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0575 0.0565
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.051 0.05
Loa Loa (eye worm) RecQ helicase 0.002 0.0029 0.0064
Echinococcus granulosus endothelin converting enzyme 1 0.0287 0.1467 0.2108
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Mycobacterium tuberculosis Probable reductase 0.0109 0.051 0.05
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0084 0.029
Plasmodium vivax glutathione reductase, putative 0.0048 0.0179 0.0169
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0117 0.0553 0.0788
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0059 0.0048
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0026 0.0056
Loa Loa (eye worm) peptidase family M13 containing protein 0.0212 0.1064 0.2321
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0026 0.0027
Brugia malayi hypothetical protein 0.0016 0.001 0.0022
Schistosoma mansoni DNA helicase recq5 0.002 0.0029 0.0083
Schistosoma mansoni lamin 0.0027 0.0068 0.0231
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0026 0.0027
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0056
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0026 0.0027
Echinococcus multilocularis adam 17 protease 0.0187 0.0928 0.133
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0011 0.0005
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0056
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0713 0.3767 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0078 0.0102
Loa Loa (eye worm) hypothetical protein 0.0212 0.1064 0.2321
Loa Loa (eye worm) reprolysin 0.0019 0.0022 0.0047
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0026 0.0027
Loa Loa (eye worm) hypothetical protein 0.0034 0.0107 0.0234
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0145 0.0701 0.2621
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0107 0.0234
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0088 0.0397 0.1471
Loa Loa (eye worm) hypothetical protein 0.0217 0.1091 0.2379
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0026 0.0126
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0435 0.227 0.4952
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0029 0.0156
Echinococcus granulosus expressed protein 0.0378 0.1958 0.2817
Leishmania major trypanothione reductase 0.0048 0.0179 0.0449
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0035 0.0112 0.0151
Leishmania major hypothetical protein, conserved 0.0025 0.0059 0.0128
Leishmania major adenosine kinase, putative 0.0087 0.0388 0.1006
Plasmodium falciparum glutathione reductase 0.0048 0.0179 0.0169
Loa Loa (eye worm) matrixin family protein 0.0864 0.4584 1
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0019 0.0022 0.0021
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0036 0.0041
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0059 0.0128
Loa Loa (eye worm) hypothetical protein 0.0217 0.1091 0.2379
Loa Loa (eye worm) hypothetical protein 0.003 0.0084 0.0183
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0029 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0026 0.007
Echinococcus multilocularis adenosine kinase 0.0087 0.0388 0.055
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0036 0.0068
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0029 0.0032
Echinococcus multilocularis geminin 0.0171 0.0846 0.1211
Brugia malayi Hemopexin family protein 0.0507 0.2655 0.5793
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0059 0.0048
Trypanosoma brucei adenosine kinase, putative 0.0087 0.0388 0.1006
Echinococcus granulosus lamin dm0 0.0027 0.0068 0.0088
Entamoeba histolytica aminopeptidase, putative 0.0035 0.0112 0.9355
Mycobacterium ulcerans leucyl aminopeptidase 0.0107 0.0497 0.0487
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0019
Schistosoma mansoni endothelin-converting enzyme-related 0.007 0.0298 0.1097
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0026 0.0126
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.007 0.0298 0.1097
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0029 0.005
Echinococcus multilocularis leucine aminopeptidase protein 0.0107 0.0497 0.0707
Onchocerca volvulus 0.0357 0.185 0.4313
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0112 0.0269
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0193 0.0421
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0575 0.0082
Brugia malayi intermediate filament protein 0.0027 0.0068 0.0149
Mycobacterium ulcerans zinc metalloprotease 0.0287 0.1467 0.1458
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0145 0.0701 0.2621
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0026 0.0056
Echinococcus multilocularis expressed protein 0.0378 0.1958 0.2817
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0036 0.0041
Schistosoma mansoni hypothetical protein 0.0075 0.0325 0.1199
Toxoplasma gondii thioredoxin reductase 0.0048 0.0179 0.0169
Schistosoma mansoni hypothetical protein 0.0171 0.0846 0.3167
Chlamydia trachomatis cytosol aminopeptidase 0.0107 0.0497 0.0487
Loa Loa (eye worm) hypothetical protein 0.0217 0.1091 0.2379
Trypanosoma cruzi aminopeptidase, putative 0.0035 0.0112 0.0269
Loa Loa (eye worm) hypothetical protein 0.0287 0.1467 0.3201
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0068 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0026 0.007
Brugia malayi Pre-SET motif family protein 0.003 0.0084 0.0183
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0026 0.0056
Toxoplasma gondii kinase, pfkB family protein 0.0087 0.0388 0.0378
Loa Loa (eye worm) hypothetical protein 0.0287 0.1467 0.3201
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0026 0.0056
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0064
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0011 0.0023
Schistosoma mansoni neprilysin 0.0075 0.0325 0.1199
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0029 0.0019
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0112 0.0269
Onchocerca volvulus Matrix metalloproteinase homolog 0.0793 0.4198 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0088 0.0397 0.0563
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0021 0.0036 0.0078
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0026 0.0027
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0047
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0287 0.1467 0.3201
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0026 0.0027
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0026 0.0027
Trypanosoma brucei Peptide deformylase 2 0.0713 0.3767 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0035 0.0112 0.0269
Brugia malayi Peptidase family M1 containing protein 0.0035 0.0112 0.0243
Brugia malayi cytosol aminopeptidase 0.0021 0.0036 0.0078
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0036 0.0041
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0097
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0179 0.0248
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Brugia malayi hypothetical protein 0.0032 0.0096 0.021
Loa Loa (eye worm) hypothetical protein 0.0392 0.2038 0.4446
Trypanosoma brucei aminopeptidase, putative 0.0021 0.0036 0.0068
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1868 1 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.1064 0.2321
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.1057 0.2306
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0107 0.0497 0.0487
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0007 0.0016
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0112 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0026 0.0126
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0068 0.0149
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0084 0.0111
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0026 0.0126

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.13 nM Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A ChEMBL. 14980664
Ki (binding) = 0.13 nM Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A ChEMBL. 14980664
Ki (binding) = 1.9 nM Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B ChEMBL. 14980664
Ki (binding) = 1.9 nM Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B ChEMBL. 14980664
Ratio (binding) = 14.6 Selectivity ratio of Ki for MT1 melatonin receptor to that of MT2 melatonin receptor ChEMBL. 14980664
Ratio (binding) = 14.6 Selectivity ratio of Ki for MT1 melatonin receptor to that of MT2 melatonin receptor ChEMBL. 14980664

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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