Detailed information for compound 82121

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.556 | Formula: C21H33NO4S
  • H donors: 3 H acceptors: 4 LogP: 5.01 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CC(C(CC)C)S)C
  • InChi: 1S/C21H33NO4S/c1-5-13(3)17(12-19(27)14(4)6-2)20(24)22-18(21(25)26)11-15-7-9-16(23)10-8-15/h7-10,13-14,17-19,23,27H,5-6,11-12H2,1-4H3,(H,22,24)(H,25,26)
  • InChiKey: LNBUEXVUHUUIFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Neprilysin Starlite/ChEMBL References
Homo sapiens angiotensin I converting enzyme Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Onchocerca volvulus Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium leprae probable zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium ulcerans zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus granulosus endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) Neprilysin   750 aa 773 aa 20.7 %
Schistosoma japonicum Endothelin-converting enzyme 2, putative Neprilysin   750 aa 787 aa 21.2 %
Onchocerca volvulus Neprilysin   750 aa 682 aa 31.4 %
Onchocerca volvulus Neprilysin   750 aa 713 aa 33.7 %
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 0.0038 0.0039 0.0005
Plasmodium vivax subtilisin-like protease 2, putative 0.0038 0.0039 0.0068
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0137 0.1214 0.1182
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0037 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.0037 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0086 0.0617 0.0617
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0805 0.0805
Onchocerca volvulus 0.0104 0.0833 0.28
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0533 0.5918 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0593 0.0593
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Trypanosoma brucei cdc2-related kinase 3 0.0043 0.0101 0.061
Trypanosoma brucei mitotic cyclin 6 0.0104 0.0833 0.779
Trichomonas vaginalis cyclin B, putative 0.0104 0.0833 0.1355
Loa Loa (eye worm) hypothetical protein 0.0344 0.3676 0.3676
Trypanosoma cruzi cyclin, putative 0.0104 0.0833 0.779
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0101 0.0082
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0137 0.1214 0.2003
Schistosoma mansoni chromatin regulatory protein sir2 0.0137 0.1214 0.1214
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0037 0.0036 0.0036
Plasmodium vivax apical sushi protein, putative 0.0064 0.0356 0.7599
Echinococcus multilocularis cyclin b3 0.0065 0.0368 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0039 0.0005
Echinococcus granulosus cyclin b3 0.0065 0.0368 0.0334
Toxoplasma gondii hypothetical protein 0.005 0.0182 0.1601
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0533 0.5918 1
Brugia malayi Zona pellucida-like domain containing protein 0.0037 0.0036 0.0036
Echinococcus multilocularis 0.0708 0.7987 1
Plasmodium vivax subtilisin-like serine protease, putative 0.0038 0.0039 0.0068
Loa Loa (eye worm) hypothetical protein 0.0114 0.0946 0.0946
Trichomonas vaginalis cyclins, putative 0.0055 0.0245 0.0356
Loa Loa (eye worm) transcriptional regulator 0.0123 0.1058 0.1058
Onchocerca volvulus 0.0064 0.0356 0.1125
Onchocerca volvulus 0.0064 0.0356 0.1125
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Echinococcus granulosus furin 0.0878 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0043 0.0101 0.061
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0039 0.0005
Plasmodium falciparum subtilisin-like protease 1 0.0038 0.0039 0.0068
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0123 0.1058 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0123 0.1058 0.1058
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Brugia malayi Cyclin, N-terminal domain containing protein 0.0104 0.0833 0.0833
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0123 0.1058 0.1026
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Echinococcus multilocularis neuroendocrine convertase 2 0.0552 0.6133 0.7668
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0207 0.2052 0.3427
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Trichomonas vaginalis hypothetical protein 0.017 0.1607 0.2671
Toxoplasma gondii subtilisin SUB4 0.0038 0.0039 0.0031
Loa Loa (eye worm) hypothetical protein 0.0114 0.0946 0.0946
Trichomonas vaginalis cyclin B, putative 0.0065 0.0368 0.0565
Trichomonas vaginalis cyclins, putative 0.0104 0.0833 0.1355
Toxoplasma gondii peptidase family M13 protein 0.0114 0.0946 1
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0805 0.0805
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Toxoplasma gondii subtilisin SUB5 0.0038 0.0039 0.0031
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0878 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0207 0.2052 0.3427
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0137 0.1214 0.2003
Toxoplasma gondii subtilisin SUB12 0.0038 0.0039 0.0031
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0038 0.0039 0.0039
Plasmodium falciparum subtilisin-like protease 3 0.0038 0.0039 0.0068
Echinococcus granulosus Furin 1 0.0207 0.2052 0.2023
Onchocerca volvulus 0.0038 0.0039 0.001
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.017 0.1607 0.2671
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0264
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Plasmodium falciparum apical sushi protein 0.0064 0.0356 0.7599
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0038 0.0039 0.0039
Onchocerca volvulus 0.0064 0.0356 0.1125
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0058 0.0276 0.0276
Toxoplasma gondii subtilisin SUB11 0.0038 0.0039 0.0031
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0114 0.0946 0.0946
Trypanosoma cruzi CYC2-like cyclin, putative 0.0104 0.0833 0.779
Echinococcus multilocularis Furin 1 0.0207 0.2052 0.2535
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.0593 0.0593
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0101 0.0636
Loa Loa (eye worm) hypothetical protein 0.0039 0.0058 0.0058
Brugia malayi celfurPC protein 0.0708 0.7987 0.7987
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Echinococcus multilocularis endothelin converting enzyme 1 0.0114 0.0946 0.1145
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Brugia malayi Sushi domain 0.0064 0.0356 0.0356
Giardia lamblia G2/mitotic-specific cyclin B 0.0104 0.0833 0.2178
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0038 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Toxoplasma gondii subtilisin SUB10 0.0038 0.0039 0.0031
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0043 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0037 0.0036 0.0036
Toxoplasma gondii rhoptry neck protein RON1 0.0064 0.0356 0.3519
Loa Loa (eye worm) hypothetical protein 0.0086 0.0617 0.0617
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Echinococcus multilocularis histone lysine n methyltransferase setd8 0.0073 0.0457 0.053
Plasmodium vivax protein kinase Crk2 0.0043 0.0101 0.1544
Onchocerca volvulus 0.0056 0.0264 0.0801
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0043 0.0101 0.061
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.0593 0.0593
Trichomonas vaginalis cyclin B, putative 0.0104 0.0833 0.1355
Brugia malayi Will die slowly protein 0.0277 0.2882 0.2882
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.0101 0.061
Loa Loa (eye worm) hypothetical protein 0.0086 0.0617 0.0617
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0101 0.0111
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Trypanosoma cruzi cyclin 6, putative 0.0104 0.0833 0.779
Echinococcus granulosus C type lectin domian containing protein 0.0064 0.0356 0.0321
Brugia malayi von Willebrand Factor 0.0037 0.0036 0.0036
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.017 0.1607 0.2671
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0123 0.1058 0.1738
Loa Loa (eye worm) hypothetical protein 0.0086 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Echinococcus granulosus beta-adrenergic receptor kinase 0.0102 0.0805 0.0771
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0878 1 1
Trichomonas vaginalis cyclin D, putative 0.0065 0.0368 0.0565
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Trichomonas vaginalis WD repeat domain, putative 0.0277 0.2882 0.4838
Entamoeba histolytica cyclin, putative 0.0104 0.0833 0.7797
Loa Loa (eye worm) hypothetical protein 0.0084 0.0593 0.0593
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0039 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Echinococcus granulosus cyclin dependent kinase 0.0043 0.0101 0.0065
Loa Loa (eye worm) subtilase 0.0038 0.0039 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0039 0.0005
Onchocerca volvulus 0.0064 0.0356 0.1125
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0102 0.0805 0.0805
Echinococcus multilocularis cyclin B3 1 0.0065 0.0368 0.0418
Onchocerca volvulus 0.0064 0.0356 0.1125
Echinococcus granulosus cyclins 0.0065 0.0368 0.0334
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0123 0.1058 0.1738
Mycobacterium leprae probable zinc metalloprotease 0.0114 0.0946 1
Echinococcus granulosus endothelin converting enzyme 1 0.0114 0.0946 0.0913
Schistosoma mansoni furin-1 (S08 family) 0.0382 0.412 0.412
Brugia malayi proprotein convertase 2 0.0552 0.6133 0.6133
Trichomonas vaginalis cyclin B, putative 0.0104 0.0833 0.1355
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Brugia malayi NAD-dependent deacetylase SIRT1 0.0137 0.1214 0.1214
Treponema pallidum 76K protein 0.0037 0.0036 0.5
Echinococcus granulosus cyclins 0.0065 0.0368 0.0334
Echinococcus granulosus protein will die slowly 0.0277 0.2882 0.2856
Toxoplasma gondii rhoptry neck protein RON9 0.0064 0.0356 0.3519
Onchocerca volvulus 0.0064 0.0356 0.1125
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.0101 0.061
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0101 0.0101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0037 0.0036 0.0036
Brugia malayi GCC2 and GCC3 family protein 0.0064 0.0356 0.0356
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0101 0.0101
Giardia lamblia Hypothetical protein 0.0065 0.0368 0.0796
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) hypothetical protein 0.0105 0.0838 0.0838
Giardia lamblia Hypothetical protein 0.0123 0.1058 0.2849
Plasmodium falciparum protein kinase 5 0.0043 0.0101 0.1544
Toxoplasma gondii histone lysine methyltransferase SET8 0.0073 0.0457 0.4631
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0123 0.1058 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0188 0.0188
Brugia malayi Cyclin, N-terminal domain containing protein 0.0104 0.0833 0.0833
Entamoeba histolytica cyclin, putative 0.0065 0.0368 0.3254
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Entamoeba histolytica cyclin family protein 0.0065 0.0368 0.3254
Loa Loa (eye worm) cyclin domain-containing protein 0.0065 0.0368 0.0368
Echinococcus multilocularis cyclin dependent kinase 0.0043 0.0101 0.0082
Echinococcus granulosus chromatin regulatory protein sir2 0.0123 0.1058 0.1026
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0043 0.0101 0.0065
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Schistosoma mansoni site-1 peptidase (S08 family) 0.0038 0.0039 0.0039
Brugia malayi Protein kinase domain containing protein 0.0043 0.0101 0.0101
Onchocerca volvulus 0.0064 0.0356 0.1125
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0101 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0368 0.0565
Leishmania major cyclin 0.0104 0.0833 0.779
Echinococcus multilocularis c4b binding protein beta chain 0.0064 0.0356 0.0403
Echinococcus multilocularis cyclin B 0.0104 0.0833 0.1002
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0101 0.0082
Plasmodium vivax subtilisin-like protease 1 0.0038 0.0039 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0039 0.0005
Loa Loa (eye worm) hypothetical protein 0.0086 0.0617 0.0617
Echinococcus granulosus membrane bound transcription factor site 1 0.0038 0.0039 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0188 0.0188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0188 0.0188
Echinococcus granulosus cyclins 0.0065 0.0368 0.0334
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0064 0.0356 0.0356
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Toxoplasma gondii subtilisin SUB7 0.0038 0.0039 0.0031
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0043 0.0101 0.061
Trichomonas vaginalis cyclins, putative 0.0104 0.0833 0.1355
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Mycobacterium ulcerans zinc metalloprotease 0.0114 0.0946 1
Entamoeba histolytica cyclin family protein 0.0065 0.0368 0.3254
Echinococcus granulosus cyclin dependent kinase 1 0.0043 0.0101 0.0065
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Brugia malayi Peptidase family M13 containing protein 0.0114 0.0946 0.0946
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0114 0.0946 0.0946
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Echinococcus granulosus cyclin dependent kinase 5 0.0043 0.0101 0.0065
Schistosoma mansoni cyclin B 0.0104 0.0833 0.0833
Schistosoma mansoni site-1 peptidase (S08 family) 0.0038 0.0039 0.0039
Brugia malayi Zona pellucida-like domain containing protein 0.0037 0.0036 0.0036
Onchocerca volvulus 0.0064 0.0356 0.1125
Trichomonas vaginalis cyclins, putative 0.0104 0.0833 0.1355
Leishmania major silent information regulator 2, putative 0.0123 0.1058 1
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Loa Loa (eye worm) hypothetical protein 0.0104 0.0833 0.0833
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0058 0.0276 0.0276
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Echinococcus granulosus G protein coupled receptor kinase 1 0.0092 0.068 0.0647
Onchocerca volvulus 0.0277 0.2882 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0946 0.0946
Toxoplasma gondii subtilisin SUB6 0.0038 0.0039 0.0031
Toxoplasma gondii subtilisin SUB1 0.0038 0.0039 0.0031
Echinococcus multilocularis beta adrenergic receptor kinase 0.0102 0.0805 0.0967
Brugia malayi neuroendocrine convertase 1 precursor 0.0552 0.6133 0.6133
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0207 0.2052 0.3427
Schistosoma mansoni hypothetical protein 0.017 0.1607 0.1607
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0123 0.1058 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0123 0.1058 0.1286
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0207 0.2052 0.2052
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0065 0.0368 0.0418
Echinococcus granulosus cyclin B3 1 0.0065 0.0368 0.0334
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0092 0.068 0.0811
Brugia malayi Cyclin, N-terminal domain containing protein 0.0065 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Onchocerca volvulus 0.0064 0.0356 0.1125
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0104 0.0833 0.779
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0137 0.1214 0.1482
Trichomonas vaginalis cyclin B, putative 0.0104 0.0833 0.1355
Loa Loa (eye worm) hypothetical protein 0.0073 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0137 0.1214 0.1214
Loa Loa (eye worm) hypothetical protein 0.0038 0.0039 0.0039
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Echinococcus granulosus cyclins 0.0065 0.0368 0.0334
Plasmodium falciparum SET domain protein, putative 0.0073 0.0457 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0533 0.5918 0.7398
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0101 0.0101
Toxoplasma gondii subtilisin SUB2 0.0038 0.0039 0.0031
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0064 0.0356 0.0356
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.8471 0.8471
Schistosoma mansoni chromatin regulatory protein sir2 0.0123 0.1058 0.1058
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Schistosoma mansoni cyclins 0.0065 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Brugia malayi cell division control protein 2 homolog 0.0043 0.0101 0.0101
Echinococcus granulosus cyclin B 0.0104 0.0833 0.08
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0101 0.0111
Onchocerca volvulus 0.0064 0.0356 0.1125
Loa Loa (eye worm) hypothetical protein 0.005 0.0188 0.0188
Trichomonas vaginalis cyclin B3, putative 0.0065 0.0368 0.0565
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0207 0.2052 0.3427
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) CUTiclin-Like family member 0.0037 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.017 0.1607 0.2671
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Schistosoma mansoni cyclin B3 0.0065 0.0368 0.0368
Echinococcus multilocularis cyclins 0.0065 0.0368 0.0418
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0101 0.0111
Brugia malayi hypothetical protein 0.0037 0.0036 0.0036
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Echinococcus multilocularis protein will die slowly 0.0277 0.2882 0.3579
Plasmodium vivax SET domain protein, putative 0.0073 0.0457 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0065 0.0368 0.0334
Echinococcus multilocularis chromatin regulatory protein sir2 0.0123 0.1058 0.1286
Brugia malayi hypothetical protein 0.0064 0.0356 0.0356
Schistosoma mansoni hypothetical protein 0.0277 0.2882 0.2882
Trichomonas vaginalis cyclins, putative 0.0104 0.0833 0.1355
Trypanosoma cruzi cyclin, putative 0.0104 0.0833 0.779
Brugia malayi Subtilase family protein 0.0038 0.0039 0.0039
Giardia lamblia High cysteine membrane protein Group 2 0.0326 0.3461 1
Trichomonas vaginalis cyclin A, putative 0.0104 0.0833 0.1355
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0038 0.0039 0.0003
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.0101 0.061
Loa Loa (eye worm) CUTiclin family member 0.0037 0.0036 0.0036
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0137 0.1214 0.2003
Plasmodium falciparum cyclin 0.0065 0.0368 0.7891
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0038 0.0039 0.0004
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0137 0.1214 0.2003
Treponema pallidum hypothetical protein 0.0037 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.0833 0.0833
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0038 0.0039 0.0039
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0207 0.2052 0.3427
Loa Loa (eye worm) endoprotease bli-4 0.0878 1 1
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0058 0.0276 0.0276
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.8471 0.8471
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0058 0.0276 0.0276
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Loa Loa (eye worm) hypothetical protein 0.0086 0.0617 0.0617
Schistosoma mansoni hypothetical protein 0.0037 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0084 0.0593 0.0593
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Echinococcus granulosus neuroendocrine convertase 2 0.0552 0.6133 0.6119
Trichomonas vaginalis cyclins, putative 0.0065 0.0368 0.0565
Schistosoma mansoni c4b-binding protein beta chain 0.0064 0.0356 0.0356
Echinococcus granulosus histone lysine n methyltransferase setd8 0.0073 0.0457 0.0423
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0114 0.0946 1
Schistosoma mansoni neprilysin-2 (M13 family) 0.0058 0.0276 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase seto7 0.0073 0.0457 0.0457
Echinococcus multilocularis cyclin dependent kinase 5 0.0043 0.0101 0.0082
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0123 0.1058 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0037 0.0036 0.0036
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0037 0.0036 0.0036
Echinococcus multilocularis C type lectin domian containing protein 0.0064 0.0356 0.0403
Echinococcus granulosus c4b binding protein beta chain 0.0064 0.0356 0.0321
Plasmodium falciparum subtilisin-like protease 2 0.0038 0.0039 0.0068
Giardia lamblia Furin precursor putative serine protease 0.017 0.1607 0.4482
Loa Loa (eye worm) hypothetical protein 0.0042 0.0087 0.0087
Trichomonas vaginalis cyclin D, putative 0.0065 0.0368 0.0565
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0137 0.1214 0.3313
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0101 0.0636
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0038 0.0039 0.0005
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.017 0.1607 0.2671
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0207 0.2052 0.3427
Brugia malayi Protein set-1 0.0073 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0084 0.0593 0.0593
Giardia lamblia Cyclin A 0.0065 0.0368 0.0796
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0123 0.1058 1
Loa Loa (eye worm) WD40 repeat protein 0.0277 0.2882 0.2882
Toxoplasma gondii subtilisin SUB8 0.0038 0.0039 0.0031
Echinococcus multilocularis membrane bound transcription factor site 1 0.0038 0.0039 0.0004
Brugia malayi transcriptional regulator, Sir2 family protein 0.0123 0.1058 0.1058
Loa Loa (eye worm) proprotein convertase 2 0.0207 0.2052 0.2052
Toxoplasma gondii subtilisin SUB9 0.0038 0.0039 0.0031
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0043 0.0101 0.0715
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0533 0.5918 0.5904
Echinococcus granulosus cyclins 0.0065 0.0368 0.0334
Brugia malayi pregnancy-associated plasma protein-A 0.0064 0.0356 0.0356
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.0101 0.061
Schistosoma mansoni chromatin regulatory protein sir2 0.0123 0.1058 0.1058

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.38 uM Tested for inhibitory potency against neutral endopeptidase (NEP) ChEMBL. 8021926
IC50 (binding) = 0.38 uM Tested for inhibitory potency against neutral endopeptidase (NEP) ChEMBL. 8021926
IC50 (binding) = 3.4 uM Tested for inhibitory potency against Angiotensin I Converting Enzyme ChEMBL. 8021926
IC50 (binding) = 3.4 uM Tested for inhibitory potency against Angiotensin I Converting Enzyme ChEMBL. 8021926

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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