Detailed information for compound 1065314

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 621.617 | Formula: C32H36N3O8P
  • H donors: 4 H acceptors: 6 LogP: 3.48 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](P(=O)(CC(C(=O)N[C@H](C(=O)O)C)CC1ON=C(C1)c1ccccc1)O)Cc1ccccc1)OCc1ccccc1
  • InChi: 1S/C32H36N3O8P/c1-22(31(37)38)33-30(36)26(18-27-19-28(35-43-27)25-15-9-4-10-16-25)21-44(40,41)29(17-23-11-5-2-6-12-23)34-32(39)42-20-24-13-7-3-8-14-24/h2-16,22,26-27,29H,17-21H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H,40,41)/t22-,26?,27?,29+/m0/s1
  • InChiKey: LIOSIPYHSGHPQG-HXIUBBBLSA-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
Homo sapiens membrane metallo-endopeptidase Starlite/ChEMBL References
Homo sapiens angiotensin I converting enzyme Starlite/ChEMBL References
Homo sapiens endothelin converting enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 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 leprae probable zinc metalloprotease 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
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 tuberculosis Probable zinc metalloprotease Zmp1 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
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 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
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
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative 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) 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) peptidase family M13 containing 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
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing 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
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0061 0.0186 0.0323
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Schistosoma mansoni caspase-3 (C14 family) 0.0126 0.0952 0.2274
Loa Loa (eye worm) hypothetical protein 0.0048 0.0031 0.0014
Loa Loa (eye worm) hypothetical protein 0.0131 0.1012 0.12
Echinococcus multilocularis dual specificity 0.0099 0.0641 0.0623
Brugia malayi Protein kinase domain containing protein 0.0068 0.0268 0.03
Echinococcus granulosus endothelin converting enzyme 1 0.0228 0.2157 0.4163
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0073 0.0685
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0031 0.0046
Schistosoma mansoni endothelin-converting enzyme-related 0.0056 0.0125 0.03
Loa Loa (eye worm) zinc metallopeptidase 4 0.0056 0.0125 0.0128
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0099 0.0641 0.6553
Echinococcus granulosus dual specificity 0.0099 0.0641 0.1211
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0127 0.0962 0.0944
Plasmodium vivax serine/threonine kinase-1, putative 0.0068 0.0268 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0103 0.0682 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0073 0.0685
Loa Loa (eye worm) hypothetical protein 0.0169 0.1456 0.1737
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0073 0.0449
Schistosoma mansoni hypothetical protein 0.0187 0.1671 0.3994
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0073 0.0685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0046 0.0032
Loa Loa (eye worm) hypothetical protein 0.0066 0.025 0.0279
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0073 0.0685
Mycobacterium leprae probable zinc metalloprotease 0.0228 0.2157 0.5
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.8288 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.2105 0.2523
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0031 0.0046
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.8288 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0143 0.0149
Echinococcus granulosus expressed conserved protein 0.0102 0.0672 0.127
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.075 0.0731
Schistosoma mansoni glutamate receptor NMDA 0.04 0.4185 1
Schistosoma mansoni hypothetical protein 0.006 0.0172 0.0411
Schistosoma mansoni hypothetical protein 0.006 0.0172 0.0411
Echinococcus multilocularis nmda type glutamate receptor 0.0483 0.5154 0.5144
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0056 0.0125 0.03
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0073 0.0685
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0068 0.0268 0.03
Loa Loa (eye worm) hypothetical protein 0.0228 0.2157 0.2585
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Leishmania major protein kinase, putative 0.0068 0.0268 0.254
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0061 0.0186 0.0323
Loa Loa (eye worm) hypothetical protein 0.0169 0.1456 0.1737
Onchocerca volvulus Huntingtin homolog 0.0131 0.1012 0.2397
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.0125 0.03
Echinococcus multilocularis geminin 0.0187 0.1671 0.1655
Loa Loa (eye worm) hypothetical protein 0.0098 0.0624 0.0731
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0228 0.2157 0.5154
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.0962 0.2299
Leishmania major protein kinase, putative 0.0068 0.0268 0.254
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0073 0.0217
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0073 0.0449
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0031 0.0046
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0099 0.0641 1
Brugia malayi MAP kinase sur-1 0.0051 0.0073 0.0064
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.0826 0.1975
Giardia lamblia Kinase, CMGC CLK 0.0068 0.0268 1
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0115 0.0826 0.1975
Loa Loa (eye worm) hypothetical protein 0.0173 0.1503 0.1794
Brugia malayi Protein kinase domain containing protein 0.0099 0.0641 0.0752
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0228 0.2157 0.2585
Loa Loa (eye worm) hypothetical protein 0.0173 0.1503 0.1794
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.0962 0.1902
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0061 0.0186 0.0166
Echinococcus granulosus glutamate receptor 2 0.0061 0.0186 0.0323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0046 0.0111
Echinococcus granulosus dual specificity protein kinase clk2 0.0068 0.0268 0.0483
Loa Loa (eye worm) hypothetical protein 0.0169 0.1456 0.1737
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.0962 0.1902
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0046 0.0027
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Echinococcus granulosus geminin 0.0187 0.1671 0.3217
Schistosoma mansoni neprilysin-2 (M13 family) 0.0115 0.0826 0.1975
Echinococcus multilocularis 0.0066 0.025 0.0231
Loa Loa (eye worm) hypothetical protein 0.0173 0.1503 0.1794
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0046 0.0111
Echinococcus granulosus hypothetical protein 0.0066 0.025 0.0449
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0268 0.064
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.075 0.0883
Brugia malayi Cell death protein 3 precursor 0.0092 0.0553 0.0644
Loa Loa (eye worm) hypothetical protein 0.0173 0.1503 0.1794
Schistosoma mansoni caspase-7 (C14 family) 0.0092 0.0553 0.132
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0143 0.1154 0.1136
Onchocerca volvulus 0.0113 0.0802 0.13
Echinococcus multilocularis caspase 2 0.0092 0.0553 0.0534
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0073 0.0197
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.075 1
Echinococcus multilocularis caspase 3 0.0078 0.0392 0.0373
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0061 0.0186 0.0166
Schistosoma mansoni patched 1 0.0047 0.002 0.0047
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0126 0.0952 0.1815
Echinococcus multilocularis caspase 8 0.0048 0.0031 0.0011
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0099 0.0641 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Loa Loa (eye worm) hypothetical protein 0.0169 0.1456 0.1737
Toxoplasma gondii aldehyde dehydrogenase 0.0127 0.0962 0.438
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.1456 0.1737
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0048 0.0031 0.0074
Schistosoma mansoni hypothetical protein 0.006 0.0172 0.0411
Echinococcus granulosus Niemann Pick C1 protein 0.0155 0.1298 0.249
Mycobacterium ulcerans zinc metalloprotease 0.0228 0.2157 1
Schistosoma mansoni caspase-7 (C14 family) 0.0126 0.0952 0.2274
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0068 0.0268 0.3876
Schistosoma mansoni neprilysin 0.006 0.0172 0.0411
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0068 0.0268 0.3876
Loa Loa (eye worm) hypothetical protein 0.0113 0.0802 0.0946
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0031 0.0046
Trypanosoma brucei protein kinase, putative 0.0051 0.0073 0.0685
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0048 0.0031 0.0014
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.0962 0.2299
Onchocerca volvulus Huntingtin homolog 0.0131 0.1012 0.2397
Schistosoma mansoni niemann-pick C1 (NPC1) 0.011 0.0769 0.1838
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0103 0.0682 0.5
Echinococcus granulosus caspase 2 0.0092 0.0553 0.1038
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Brugia malayi peptidase family M13 containing protein 0.0056 0.0125 0.0128
Schistosoma mansoni hypothetical protein 0.0187 0.1671 0.3994
Echinococcus multilocularis dual specificity protein kinase clk2 0.0068 0.0268 0.0248
Loa Loa (eye worm) hypothetical protein 0.0109 0.075 0.0883
Echinococcus multilocularis nmda type glutamate receptor 0.036 0.3713 0.37
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0031 0.0046
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.0962 0.1902
Loa Loa (eye worm) hypothetical protein 0.0173 0.1503 0.1794
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0228 0.2157 1
Schistosoma mansoni hypothetical protein 0.006 0.0172 0.0411
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0126 0.0952 0.0934
Trichomonas vaginalis CMGC family protein kinase 0.0068 0.0268 0.1012
Echinococcus granulosus nmda type glutamate receptor 0.036 0.3713 0.7194
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0046 0.0027
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.0125 0.03
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0127 0.0962 0.1902
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0061 0.0186 0.0323
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0073 0.0217
Echinococcus multilocularis glutamate receptor NMDA 0.034 0.3471 0.3458
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.006 0.0172 0.0411
Loa Loa (eye worm) hypothetical protein 0.0092 0.0553 0.0644
Echinococcus granulosus nmda type glutamate receptor 0.0483 0.5154 1
Echinococcus granulosus caspase 3 0.0078 0.0392 0.0724
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0073 0.0217
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Trichomonas vaginalis set domain proteins, putative 0.0255 0.2469 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0046 0.0052
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0127 0.0962 0.1836
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0073 0.0053
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0068 0.0268 0.3876
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0127 0.0962 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0073 0.0217
Echinococcus multilocularis Niemann Pick C1 protein 0.0155 0.1298 0.1281
Brugia malayi Pre-SET motif family protein 0.0224 0.2105 0.2523
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0068 0.0268 0.3876
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0061 0.0186 0.0323
Onchocerca volvulus 0.0255 0.2469 1
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0641 0.1532
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0056 0.0125 0.03
Echinococcus granulosus caspase 0.0126 0.0952 0.1815
Echinococcus multilocularis glutamate receptor 2 0.0061 0.0186 0.0166
Toxoplasma gondii peptidase family M13 protein 0.0228 0.2157 1
Echinococcus multilocularis endothelin converting enzyme 1 0.0228 0.2157 0.2141
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0073 0.0174
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.0125 0.03
Schistosoma mansoni hypothetical protein 0.006 0.0172 0.0411
Echinococcus granulosus glutamate receptor NMDA 0.034 0.3471 0.6722
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.1456 0.1737
Loa Loa (eye worm) hypothetical protein 0.0173 0.1503 0.1794
Plasmodium falciparum protein serine/threonine kinase-1 0.0068 0.0268 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.0826 0.1975
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0073 0.0103
Loa Loa (eye worm) hypothetical protein 0.0098 0.0624 0.0731
Echinococcus multilocularis caspase 0.0126 0.0952 0.0934
Brugia malayi hypothetical protein 0.0131 0.1012 0.12
Echinococcus multilocularis expressed conserved protein 0.0102 0.0672 0.0654
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0099 0.0641 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0073 0.0103
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0068 0.0268 0.3876
Loa Loa (eye worm) hypothetical protein 0.0131 0.1012 0.12
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0046 0.0111
Echinococcus multilocularis protein dispatched 1 0.0053 0.0097 0.0078
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0073 0.0053
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0031 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0031 0.0046
Loa Loa (eye worm) hypothetical protein 0.0228 0.2157 0.2585
Chlamydia trachomatis glutamine binding protein 0.0103 0.0682 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0099 0.0641 0.0752
Loa Loa (eye worm) hypothetical protein 0.0228 0.2157 0.2585
Echinococcus granulosus caspase 8 0.0048 0.0031 0.0022
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0073 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0046 0.0032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0046 0.0052
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0068 0.0268 0.1113
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0115 0.0826 0.1975
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0061 0.0186 0.0166
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.075 0.1421
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0068 0.0268 0.3876
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0103 0.0682 0.5
Brugia malayi Peptidase family M13 containing protein 0.0228 0.2157 0.2585
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0061 0.0186 0.0166
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0268 0.064
Schistosoma mansoni hypothetical protein 0.006 0.0172 0.0411

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5 nM Inhibition of human somatic ACE C-terminal domain ChEMBL. 19899765
Ki (binding) = 85 nM Inhibition of human somatic NEP ChEMBL. 19899765
Ki (binding) = 2100 nM Inhibition of human somatic ECE1 ChEMBL. 19899765

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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