Detailed information for compound 21177

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.507 | Formula: C24H30N2O2
  • H donors: 2 H acceptors: 1 LogP: 5.25 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)NC[C@@H]1C[C@@H]1c1cccc2c1OC(N2)CCCCc1ccccc1
  • InChi: 1S/C24H30N2O2/c1-2-22(27)25-16-18-15-20(18)19-12-8-13-21-24(19)28-23(26-21)14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,18,20,23,26H,2,6-7,11,14-16H2,1H3,(H,25,27)/t18-,20+,23?/m0/s1
  • InChiKey: KOEYXTZAIOHZLZ-CDOORCJHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.05 nM Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A ChEMBL. 14980664
Ki (binding) = 0.07 nM Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B ChEMBL. 14980664
Ratio (binding) = 1.4 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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