Detailed information for compound 65507

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.037 | Formula: C28H27ClNO2S-
  • H donors: 0 H acceptors: 1 LogP: 7.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(sc2c1cccc2)c1ccccc1)c1ccc(cc1)OCCN1CCCCC1.[Cl-]
  • InChi: 1S/C28H27NO2S.ClH/c30-27(21-13-15-23(16-14-21)31-20-19-29-17-7-2-8-18-29)26-24-11-5-6-12-25(24)32-28(26)22-9-3-1-4-10-22;/h1,3-6,9-16H,2,7-8,17-20H2;1H/p-1
  • InChiKey: PYOSBWXZBVEZNM-UHFFFAOYSA-M  


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
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.1299
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0151 0.048
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0174 0.0608 0.1222
Toxoplasma gondii aminopeptidase N protein 0.0296 0.1177 0.241
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0138 0.0438 0.0886
Toxoplasma gondii subtilisin SUB4 0.0076 0.0151 0.0309
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0048 0.0021 0.0061
Brugia malayi endoprotease bli-4 precursor 0.0076 0.0151 0.0219
Echinococcus multilocularis Furin 1 0.0076 0.0151 0.0288
Plasmodium falciparum plasmepsin III 0.0121 0.0358 0.0707
Loa Loa (eye worm) transcriptional regulator 0.0048 0.0021 0.0021
Brugia malayi aspartic protease BmAsp-1, identical 0.0121 0.0358 0.0545
Schistosoma mansoni hypothetical protein 0.0047 0.0012 0.0012
Trypanosoma cruzi N-myristoyl transferase, putative 0.0174 0.0608 0.1804
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0076 0.0151 0.044
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0231 0.0871 0.0871
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.0481 0.0487
Toxoplasma gondii subtilisin SUB1 0.1091 0.4884 1
Schistosoma mansoni hypothetical protein 0.0047 0.0012 0.0012
Brugia malayi celfurPC protein 0.0076 0.0151 0.0219
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Plasmodium falciparum plasmepsin I 0.0231 0.0871 0.176
Giardia lamblia Hypothetical protein 0.0048 0.0021 0.0137
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0767 0.3371 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0051 0.008
Trypanosoma brucei subtilisin peptidase 0.0076 0.0151 0.0447
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0177 0.0623 0.0623
Echinococcus granulosus furin 0.0076 0.0151 0.0288
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0767 0.3371 0.3371
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0767 0.3371 0.6894
Brugia malayi N-myristoyltransferase 2 0.0174 0.0608 0.0941
Plasmodium vivax plasmepsin IV, putative 0.0231 0.0871 0.176
Echinococcus granulosus kelch ECH associated protein 1 like 0.0094 0.0234 0.0462
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0368 0.151 0.3117
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0416 0.0416
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0767 0.3371 1
Loa Loa (eye worm) subtilase 0.0076 0.0151 0.0152
Brugia malayi ribonucleotide reductase 2 0.0138 0.0438 0.0672
Echinococcus granulosus cathepsin b 0.0133 0.0416 0.084
Brugia malayi eukaryotic initiation factor 4A 0.0049 0.0023 0.0018
Echinococcus granulosus disks large 3 0.0072 0.0131 0.0246
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0048 0.0021 0.0016
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus granulosus neuroendocrine convertase 2 0.0076 0.0151 0.0288
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Toxoplasma gondii subtilisin SUB8 0.0076 0.0151 0.0309
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.002 0.002
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0049 0.0021 0.0019
Toxoplasma gondii aminopeptidase N, putative 0.0296 0.1177 0.241
Plasmodium vivax plasmepsin V, putative 0.0121 0.0358 0.0707
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Plasmodium vivax subtilisin-like protease 1 0.1091 0.4884 1
Schistosoma mansoni hypothetical protein 0.0047 0.0012 0.0012
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.0872
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0049 0.0023 0.0108
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0121 0.0358 0.0361
Loa Loa (eye worm) N-myristoyltransferase 2 0.0174 0.0608 0.0615
Loa Loa (eye worm) transcriptional regulator 0.0048 0.0021 0.0021
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0048 0.0021 0.0017
Brugia malayi photoreceptor-specific nuclear receptor 0.0265 0.1031 0.1609
Schistosoma mansoni hypothetical protein 0.0302 0.1203 0.1203
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1062 0.4749 0.7481
Schistosoma mansoni hypothetical protein 0.0171 0.0593 0.0593
Schistosoma mansoni chromatin regulatory protein sir2 0.0048 0.0021 0.0021
Echinococcus granulosus adam 0.0232 0.0878 0.1802
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0177 0.0623 0.1271
Brugia malayi transcriptional regulator, Sir2 family protein 0.0048 0.0021 0.0013
Echinococcus granulosus geminin 0.0171 0.0593 0.1209
Plasmodium vivax aspartyl protease, putative 0.0121 0.0358 0.0707
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Treponema pallidum ribonucleotide-diphosphate reductase subunit beta 0.0138 0.0438 0.1238
Loa Loa (eye worm) hypothetical protein 0.0055 0.0051 0.0051
Echinococcus granulosus integrin alpha 3 0.1077 0.4816 1
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0151 0.048
Loa Loa (eye worm) sirtuin 4 0.0048 0.0021 0.0021
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0138 0.0438 0.1299
Leishmania major sir2-family protein-like protein 0.0048 0.0021 0.0061
Trichomonas vaginalis N-myristoyl transferase, putative 0.0174 0.0608 0.1935
Trypanosoma brucei SIR2-like protein 4, putative 0.0048 0.0021 0.0061
Loa Loa (eye worm) hypothetical protein 0.0076 0.0151 0.0152
Schistosoma mansoni dihydroceramide desaturase 0.0074 0.0138 0.0138
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0767 0.3371 0.6894
Brugia malayi hypothetical protein 0.0232 0.0878 0.1367
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0138 0.0438 0.1299
Loa Loa (eye worm) proprotein convertase 2 0.0076 0.0151 0.0152
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0368 0.151 1
Echinococcus multilocularis membrane bound transcription factor site 1 0.0076 0.0151 0.0288
Echinococcus multilocularis 0.0076 0.0151 0.0288
Brugia malayi Guanylate kinase family protein 0.0079 0.0165 0.0241
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0049 0.0023 0.0023
Schistosoma mansoni site-1 peptidase (S08 family) 0.0076 0.0151 0.0151
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.0698 0.1428
Brugia malayi ADAMTS-like protease 0.0104 0.0279 0.0421
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0076 0.0151 0.0288
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0049 0.0023 0.0023
Schistosoma mansoni chromatin regulatory protein sir2 0.0048 0.0021 0.0021
Brugia malayi mbt repeat family protein 0.0048 0.002 0.0012
Loa Loa (eye worm) hypothetical protein 0.0101 0.0264 0.0267
Mycobacterium leprae conserved hypothetical protein 0.0049 0.0024 0.0035
Brugia malayi transcriptional regulator, Sir2 family protein 0.0048 0.0021 0.0013
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0076 0.0151 0.0288
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0344 0.1401 0.2891
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0177 0.0623 0.0623
Echinococcus granulosus Furin 1 0.0076 0.0151 0.0288
Echinococcus multilocularis disintegrin and metalloproteinase 0.0074 0.0138 0.0262
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.002 0.002
Toxoplasma gondii aspartyl protease ASP3 0.0121 0.0358 0.0732
Plasmodium falciparum subtilisin-like protease 1 0.1091 0.4884 1
Brugia malayi proprotein convertase 2 0.0076 0.0151 0.0219
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0767 0.3371 0.3408
Echinococcus multilocularis adam 0.0232 0.0878 0.1802
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0718 0.3143 1
Loa Loa (eye worm) angiogenesis inhibito 0.0049 0.0024 0.0024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0819 0.3613 0.7496
Echinococcus granulosus chromatin regulatory protein sir2 0.0048 0.0021 0.0017
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Loa Loa (eye worm) hypothetical protein 0.0074 0.0138 0.014
Echinococcus granulosus adam 17 protease 0.0074 0.0138 0.0262
Giardia lamblia Sirtuin type 2 0.0048 0.0021 0.0137
Brugia malayi angiogenesis inhibito 0.0104 0.0279 0.0421
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0074 0.0138 0.0262
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0049 0.0023 0.0023
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0049 0.0023 0.007
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.1299
Brugia malayi Disintegrin family protein 0.0074 0.0138 0.0199
Mycobacterium leprae Possible secreted protease 0.0076 0.0151 0.044
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0296 0.1177 0.239
Schistosoma mansoni cathepsin D (A01 family) 0.0511 0.218 0.218
Plasmodium falciparum plasmepsin IV 0.0231 0.0871 0.176
Echinococcus multilocularis Kelch repeat type 1 0.0094 0.0235 0.0465
Loa Loa (eye worm) hypothetical protein 0.0368 0.151 0.1526
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0174 0.0608 0.124
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0138 0.0438 0.1299
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.0698 0.1428
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0133 0.0416 0.0416
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0076 0.0151 0.0447
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Leishmania major N-myristoyl transferase, putative 0.0174 0.0608 0.1804
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0047 0.0013 0.0039
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0076 0.0151 0.0219
Mycobacterium ulcerans transcriptional regulator NrdR 0.0049 0.0024 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0151 0.048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0051 0.008
Plasmodium falciparum plasmepsin VI 0.0231 0.0871 0.176
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0177 0.0623 0.063
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0718 0.3143 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0049 0.0023 0.0023
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0718 0.3143 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0076 0.0151 0.0151
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.002 0.0016
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0767 0.3371 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0049 0.0023 0.0021
Brugia malayi Reprolysin 0.0104 0.028 0.0422
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0174 0.0608 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0121 0.0358 0.0732
Loa Loa (eye worm) hypothetical protein 0.0445 0.187 0.1891
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0138 0.0438 0.0886
Brugia malayi cathepsin B-like cysteine proteinase 0.0133 0.0416 0.0637
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0048 0.0021 0.0017
Plasmodium vivax RNA helicase-1, putative 0.0049 0.0023 0.0021
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.1299
Schistosoma mansoni chromatin regulatory protein sir2 0.0048 0.0021 0.0021
Loa Loa (eye worm) endoprotease bli-4 0.0076 0.0151 0.0152
Mycobacterium ulcerans NAD-dependent deacetylase 0.0048 0.0021 0.0024
Plasmodium vivax aspartyl protease, putative 0.0121 0.0358 0.0707
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Schistosoma mansoni hypothetical protein 0.0101 0.0264 0.0264
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0076 0.0151 0.0417
Loa Loa (eye worm) hypothetical protein 0.0076 0.0151 0.0152
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Plasmodium vivax subtilisin-like serine protease, putative 0.0076 0.0151 0.0283
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Leishmania major eukaryotic initiation factor 4a, putative 0.0049 0.0023 0.007
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.0872
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0076 0.0151 0.0447
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0076 0.0151 0.044
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0076 0.0151 0.0417
Loa Loa (eye worm) hypothetical protein 0.0302 0.1203 0.1216
Loa Loa (eye worm) hypothetical protein 0.0133 0.0416 0.042
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.1299
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.0481 0.0741
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.002 0.0016
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0076 0.0151 0.044
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Toxoplasma gondii subtilisin SUB7 0.0076 0.0151 0.0309
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0416 0.0416
Plasmodium vivax hypothetical protein, conserved 0.0048 0.0021 0.0016
Toxoplasma gondii subtilisin SUB5 0.0076 0.0151 0.0309
Loa Loa (eye worm) integrin alpha pat-2 0.2165 0.9891 1
Echinococcus granulosus integrin alpha ps 0.0302 0.1203 0.2478
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0767 0.3371 0.6902
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.022 0.0822 0.2439
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0076 0.0151 0.0288
Loa Loa (eye worm) hypothetical protein 0.0104 0.0279 0.0282
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0368 0.151 0.3117
Echinococcus multilocularis kelch ECH associated protein 1 0.0094 0.0234 0.0462
Trypanosoma cruzi N-myristoyl transferase, putative 0.0174 0.0608 0.1804
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1368 0.6173 0.6173
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0368 0.151 0.4804
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0048 0.0021 0.0061
Schistosoma mansoni hypothetical protein 0.0094 0.0235 0.0235
Plasmodium falciparum plasmepsin V 0.0121 0.0358 0.0707
Toxoplasma gondii subtilisin SUB6 0.0076 0.0151 0.0309
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0048 0.0021 0.0061
Schistosoma mansoni cathepsin D (A01 family) 0.0511 0.218 0.218
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0049 0.0023 0.0009
Loa Loa (eye worm) hypothetical protein 0.0319 0.1284 0.1298
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0076 0.0151 0.0219
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0023 0.0075
Trypanosoma cruzi subtilisin peptidase 0.0076 0.0151 0.0447
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0051 0.008
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0368 0.151 0.4804
Schistosoma mansoni hypothetical protein 0.0171 0.0593 0.0593
Schistosoma mansoni cell polarity protein 0.0072 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0049 0.0023 0.0024
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0231 0.0871 0.1787
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0076 0.0151 0.0417
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0264 0.0398
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0049 0.0021 0.0019
Echinococcus multilocularis integrin alpha ps 0.0302 0.1203 0.2478
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0048 0.0021 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0151 0.048
Trypanosoma brucei N-myristoyltransferase 0.0174 0.0608 0.1804
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Schistosoma mansoni integrin alpha-ps 0.0328 0.1324 0.1324
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0138 0.0438 0.0438
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0138 0.0438 0.0897
Toxoplasma gondii subtilisin SUB10 0.0076 0.0151 0.0309
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.002 0.0016
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0177 0.0623 0.1271
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0767 0.3371 1
Echinococcus multilocularis neuroendocrine convertase 2 0.0076 0.0151 0.0288
Loa Loa (eye worm) hypothetical protein 0.1062 0.4749 0.4801
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0074 0.0138 0.0262
Schistosoma mansoni tumor necrosis factor receptor related 0.0049 0.0021 0.0021
Plasmodium falciparum plasmepsin VII 0.0121 0.0358 0.0707
Plasmodium vivax subtilisin-like protease 2, putative 0.0076 0.0151 0.0283
Echinococcus multilocularis integrin alpha ps 0.063 0.2731 0.566
Toxoplasma gondii subtilisin SUB2 0.0076 0.0151 0.0309
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Brugia malayi mbt repeat family protein 0.0048 0.002 0.0012
Brugia malayi transcriptional regulator, Sir2 family protein 0.0048 0.0021 0.0013
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0368 0.151 0.4804
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0076 0.0151 0.044
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0151 0.048
Echinococcus multilocularis disks large 3 0.0072 0.0131 0.0246
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Plasmodium falciparum plasmepsin X 0.0121 0.0358 0.0707
Loa Loa (eye worm) hypothetical protein 0.0049 0.0024 0.0024
Giardia lamblia CDC72 0.0174 0.0608 0.4028
Loa Loa (eye worm) hypothetical protein 0.0048 0.002 0.002
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0051 0.0061
Toxoplasma gondii aspartyl protease ASP1 0.0231 0.0871 0.1783
Loa Loa (eye worm) hypothetical protein 0.0121 0.0358 0.0361
Echinococcus granulosus eukaryotic initiation factor 4A 0.0049 0.0023 0.0023
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0138 0.0438 0.1337
Onchocerca volvulus 0.0076 0.0151 0.3876
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.002 0.0016
Schistosoma mansoni furin-1 (S08 family) 0.0076 0.0151 0.0151
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0076 0.0151 0.0417
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0076 0.0151 0.044
Toxoplasma gondii aspartyl protease 0.0121 0.0358 0.0732
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0049 0.0023 0.0155
Echinococcus multilocularis chromatin regulatory protein sir2 0.0048 0.0021 0.0017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0068 0.0112 0.0113
Leishmania major eukaryotic initiation factor 4a, putative 0.0049 0.0023 0.007
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0767 0.3371 1
Echinococcus granulosus kelch ECH associated protein 1 like 0.0094 0.0234 0.0462
Loa Loa (eye worm) hypothetical protein 0.0121 0.0358 0.0361
Brugia malayi Pepsin A precursor 0.0121 0.0358 0.0545
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Brugia malayi metalloprotease 0.0049 0.0024 0.0018
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0048 0.0021 0.0017
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0076 0.0151 0.0288
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0048 0.0021 0.0061
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0076 0.0151 0.0151
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0138 0.0438 0.1237
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0049 0.0021 0.0019
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0258 0.0999 0.3133
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Mycobacterium ulcerans Sir2-like regulatory protein 0.0048 0.0021 0.0024
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0047 0.0012 0.0012
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0048 0.0021 0.0016
Brugia malayi neuroendocrine convertase 1 precursor 0.0076 0.0151 0.0219
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.002 0.002
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0049 0.0023 0.007
Loa Loa (eye worm) hypothetical protein 0.0775 0.3408 0.3446
Echinococcus granulosus kelch ECH associated protein 1 0.0094 0.0234 0.0462
Schistosoma mansoni chromatin regulatory protein sir2 0.0368 0.151 0.151
Brugia malayi Subtilase family protein 0.0076 0.0151 0.0219
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0438 0.1299
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0049 0.0023 0.0048
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0231 0.0871 0.277
Trypanosoma brucei N-myristoyl transferase, putative 0.0174 0.0608 0.1804
Brugia malayi MH2 domain containing protein 0.0121 0.0357 0.0545
Loa Loa (eye worm) MBCTL1 0.0055 0.0051 0.0051
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0138 0.0438 0.0443
Echinococcus multilocularis geminin 0.0171 0.0593 0.1209
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0076 0.0151 0.0447
Schistosoma mansoni chromatin regulatory protein sir2 0.0048 0.0021 0.0021
Brugia malayi Eukaryotic aspartyl protease family protein 0.0121 0.0358 0.0545
Echinococcus multilocularis integrin alpha ps 0.063 0.2731 0.566
Onchocerca volvulus 0.0121 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.1324 0.1339
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0231 0.0871 0.1783
Plasmodium vivax aspartyl proteinase, putative 0.0121 0.0358 0.0707
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0023 0.0075
Plasmodium falciparum plasmepsin IX 0.0121 0.0358 0.0707
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0174 0.0608 0.124
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0121 0.0358 0.0358
Toxoplasma gondii subtilisin SUB9 0.0076 0.0151 0.0309
Echinococcus granulosus membrane bound transcription factor site 1 0.0076 0.0151 0.0288
Echinococcus granulosus cathepsin b 0.0133 0.0416 0.084
Leishmania major silent information regulator 2, putative 0.0048 0.0021 0.0061
Plasmodium falciparum plasmepsin VIII, putative 0.0121 0.0358 0.0707
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0357 0.0361
Echinococcus multilocularis kelch ECH associated protein 1 0.0094 0.0234 0.0462
Trichomonas vaginalis N-myristoyl transferase, putative 0.0115 0.0329 0.1048
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0048 0.0021 0.0061
Brugia malayi NAD-dependent deacetylase SIRT1 0.0368 0.151 0.2365
Schistosoma mansoni hypothetical protein 0.0047 0.0012 0.0012
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0249 0.0955 0.0955
Toxoplasma gondii histone deacetylase SIR2-like 0.0048 0.0021 0.0042
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0076 0.0151 0.0447
Schistosoma mansoni chromatin regulatory protein sir2 0.0048 0.0021 0.0021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus granulosus disintegrin and metalloproteinase 0.0074 0.0138 0.0262
Schistosoma mansoni site-1 peptidase (S08 family) 0.0076 0.0151 0.0151
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Plasmodium falciparum subtilisin-like protease 2 0.0076 0.0151 0.0283
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0265 0.1031 0.1042
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.1103 0.4937 0.4991
Loa Loa (eye worm) metalloprotease 0.0049 0.0024 0.0024
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0767 0.3371 0.6993
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0051 0.008
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Schistosoma mansoni N-myristoyltransferase 0.0174 0.0608 0.0608
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0232 0.0878 0.0878
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0076 0.0151 0.0151
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Toxoplasma gondii aminopeptidase n, putative 0.0296 0.1177 0.241
Giardia lamblia Transcriptional regulator, Sir2 family 0.0048 0.0021 0.0137
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0231 0.0871 0.1787
Brugia malayi hypothetical protein 0.0121 0.0358 0.0545
Echinococcus granulosus integrin alpha ps 0.063 0.2731 0.566
Loa Loa (eye worm) guanylate kinase 0.006 0.0073 0.0074
Toxoplasma gondii subtilisin SUB12 0.0076 0.0151 0.0309
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0049 0.0021 0.0019
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0174 0.0608 0.1222
Toxoplasma gondii subtilisin SUB11 0.0076 0.0151 0.0309
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0718 0.3143 1
Plasmodium vivax aspartyl proteinase, putative 0.0231 0.0871 0.176
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0048 0.0021 0.0061
Loa Loa (eye worm) transcriptional regulator 0.0048 0.0021 0.0021
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0023 0.0075
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0357 0.0361
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0049 0.0023 0.0023
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0445 0.187 0.2934
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0048 0.0021 0.0017
Plasmodium vivax aspartyl protease, putative 0.0121 0.0358 0.0707
Schistosoma mansoni integrin alpha 0.1405 0.6345 0.6345
Echinococcus multilocularis cathepsin b 0.0133 0.0416 0.084
Schistosoma mansoni integrin alpha-ps 0.063 0.2731 0.2731
Plasmodium vivax NAD-dependent deacetylase, putative 0.0048 0.0021 0.0016
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0076 0.0151 0.0151
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0133 0.0416 0.1233
Schistosoma mansoni chromatin regulatory protein sir2 0.0048 0.0021 0.0021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Plasmodium falciparum subtilisin-like protease 3 0.0076 0.0151 0.0283
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0049 0.0023 0.0048
Echinococcus multilocularis cathepsin b 0.0133 0.0416 0.084
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0344 0.1401 0.2891
Brugia malayi hypothetical protein 0.0121 0.0358 0.0545
Brugia malayi Integrin alpha pat-2 precursor 0.1405 0.6345 1
Echinococcus multilocularis integrin alpha 3 0.1077 0.4816 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0121 0.0358 0.0545
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0368 0.151 0.4804
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0049 0.0024 0.001
Loa Loa (eye worm) reprolysin 0.0177 0.0623 0.063
Loa Loa (eye worm) hypothetical protein 0.0055 0.005 0.0051
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0048 0.0021 0.0066
Loa Loa (eye worm) aspartyl protease 6 0.0121 0.0358 0.0361
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0231 0.0871 0.088
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0138 0.0438 0.1337
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0048 0.0021 0.0061
Plasmodium falciparum plasmepsin II 0.0231 0.0871 0.176
Loa Loa (eye worm) hypothetical protein 0.0231 0.0871 0.088
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0296 0.1177 0.239
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0049 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0297 0.1178 0.1178
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0767 0.3371 0.6993
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0767 0.3371 0.5304
Loa Loa (eye worm) hypothetical protein 0.0104 0.0279 0.0282
Brugia malayi ADAM-TS Spacer 1 family protein 0.0104 0.0279 0.0421
Onchocerca volvulus 0.0121 0.0358 1
Leishmania major subtilisin-like serine peptidase 0.0076 0.0151 0.0447
Toxoplasma gondii histone deacetylase SIR2 0.0048 0.0021 0.0042
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0718 0.3143 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0049 0.0023 0.007
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0151 0.048
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0048 0.0021 0.0017

Activities

Activity type Activity value Assay description Source Reference
Decrease (functional) = 45.6 % Percent decrease in serum cholesterol relative to OVX control at 10 mg/kg in rat was determined (in vivo) ChEMBL. 9003514
Decrease (functional) = 59.4 % Percent decrease in serum cholesterol relative to OVX control at 0.1 mg/kg in rat was determined (in vivo) ChEMBL. 9003514
Decrease (functional) = 72.6 % Percent decrease in serum cholesterol relative to OVX control at 1 mg/kg in rat ChEMBL. 9003514
ED50 (functional) < 0.1 mg kg-1 Dose required to reduce serum cholesterol by 50% relative to OVX controls was determined (in vivo) ChEMBL. 9003514
IC50 (functional) = 300 nM Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-estradiol (in vitro) ChEMBL. 9003514
Increase (functional) = 59.2 % Minimum effective dose at which significant increase in uterine weight/body weight in rat was determined (in vivo); expressed as % increase relative to ovariectomized (OVX) controls ChEMBL. 9003514
MED (functional) = 0.1 mg kg-1 Minimum effective dose at which significant increase in uterine weight/body weight in rat was determined (in vivo) ChEMBL. 9003514
MED (functional) > 10 mg kg-1 Minimum effective dose at which significant increase in uterine eosinophil peroxidase (EPO) activity in rat was determined (in vivo) ChEMBL. 9003514
RBA (binding) < 0.002 In vitro relative binding affinity by competition with [3H]-17-beta-estradiol for estrogen receptor in MCF-7 cell lysate ChEMBL. 9003514

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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