Detailed information for compound 41502

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 497.625 | Formula: C32H35NO4
  • H donors: 2 H acceptors: 1 LogP: 5.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CNC[C@@H]([C@H]1c1ccc(cc1)OCCCOCc1ccccc1)OCc1ccc2c(c1)cccc2
  • InChi: 1S/C32H35NO4/c34-30-20-33-21-31(37-23-25-11-12-26-9-4-5-10-28(26)19-25)32(30)27-13-15-29(16-14-27)36-18-6-17-35-22-24-7-2-1-3-8-24/h1-5,7-16,19,30-34H,6,17-18,20-23H2/t30-,31+,32+/m1/s1
  • InChiKey: WQXFNPSHIWXABP-RTOKGZNSSA-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 renin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva cathepsin E, putative Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) aspartic protease BmAsp-2 Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin I Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum Cathepsin D precursor, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium hominis aspartyl protease precursor Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Pepsinogen A1, related Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin II Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis eukaryotic aspartyl protease family protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax aspartyl proteinase, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl protease ASP1 Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin X renin 406 aa 352 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus g protein coupled receptor 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Schistosoma mansoni rotamase 0.0034 0.037 0.0133
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0112 0.3159 0.5949
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.1562 0.2295
Schistosoma mansoni opsin-like receptor 0.0112 0.3159 0.2991
Leishmania major DNA polymerase eta, putative 0.0034 0.0383 0.025
Plasmodium vivax glutathione reductase, putative 0.0095 0.2551 1
Echinococcus multilocularis fmrfamide receptor 0.0112 0.3159 0.5949
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0341 0.006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus granulosus neuropeptide FF receptor 2 0.0112 0.3159 0.5982
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2492 0.2308
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0545 0.0699
Onchocerca volvulus 0.0112 0.3159 0.3857
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Loa Loa (eye worm) G-protein coupled receptor 0.0112 0.3159 0.4479
Schistosoma mansoni hypothetical protein 0.0112 0.3159 0.2991
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0112 0.3159 0.4663
Echinococcus granulosus neuropeptide Y receptor 0.0112 0.3159 0.5982
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Echinococcus multilocularis dna polymerase kappa 0.0062 0.1355 0.2274
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0341 0.006
Loa Loa (eye worm) neuropeptide F receptor 0.0112 0.3159 0.4479
Echinococcus granulosus peptide allatostatin:somatostatin 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi polk-prov protein 0.0038 0.0504 0.0726
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0112 0.3159 0.4663
Echinococcus granulosus neuropeptide receptor 0.0112 0.3159 0.5982
Echinococcus granulosus neuropeptide receptor A26 0.0112 0.3159 0.5982
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0112 0.3159 0.2991
Echinococcus granulosus g protein coupled receptor 0.0112 0.3159 0.5982
Trypanosoma brucei DNA polymerase eta, putative 0.0034 0.0383 0.1502
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2492 0.9735
Schistosoma mansoni amine GPCR 0.0112 0.3159 0.2991
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0241 0.7776 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0112 0.3159 0.2991
Trichomonas vaginalis rotamase, putative 0.0033 0.0341 0.0018
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0328 0.009
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.1562 0.5552
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.2551 0.471
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0328 0.1284
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Onchocerca volvulus 0.0112 0.3159 0.3857
Loa Loa (eye worm) hypothetical protein 0.0034 0.0383 0.022
Mycobacterium ulcerans DNA polymerase IV 0.0062 0.1355 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0804 0.0636
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.1262 0.1047
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus multilocularis dro:myosuppressin receptor 0.0112 0.3159 0.5949
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Brugia malayi follicle stimulating hormone receptor 0.0112 0.3159 0.4663
Echinococcus multilocularis g protein coupled receptor 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Schistosoma mansoni neuropeptide receptor 0.0112 0.3159 0.2991
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Loa Loa (eye worm) hypothetical protein 0.0059 0.1262 0.1568
Schistosoma mansoni growth hormone secretagogue receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0341 0.1336
Brugia malayi G-protein coupled receptor 0.0112 0.3159 0.4663
Trypanosoma cruzi DNA polymerase kappa, putative 0.0062 0.1355 0.4623
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0112 0.3159 0.5982
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0217 0.691 0.8837
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0112 0.3159 0.5982
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0112 0.3159 0.5949
Brugia malayi Dopamine receptor protein 1 0.0112 0.3159 0.4663
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0328 0.1284
Brugia malayi ImpB/MucB/SamB family protein 0.0034 0.0383 0.0547
Echinococcus granulosus tachykinin peptides receptor 99D 0.0112 0.3159 0.5982
Echinococcus multilocularis dna polymerase eta 0.0034 0.0383 0.0292
Mycobacterium tuberculosis Probable reductase 0.0217 0.691 0.8837
Onchocerca volvulus 0.0149 0.4498 0.5625
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Schistosoma mansoni neuropeptide F-like receptor 0.0112 0.3159 0.2991
Trypanosoma brucei trypanothione reductase 0.0095 0.2551 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Onchocerca volvulus 0.0112 0.3159 0.3857
Echinococcus multilocularis fmrfamide receptor 0.0112 0.3159 0.5949
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.538 0.5267
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0038 0.0504 0.0405
Schistosoma mansoni amine GPCR 0.0112 0.3159 0.2991
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0504 0.1975
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Echinococcus granulosus biogenic amine 5HT receptor 0.0112 0.3159 0.5982
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0328 0.0258
Echinococcus multilocularis neuropeptide receptor 0.0112 0.3159 0.5949
Brugia malayi GnHR receptor homolog 0.0112 0.3159 0.4663
Schistosoma mansoni DNA polymerase eta 0.0034 0.0383 0.0147
Brugia malayi Dopamine receptor protein 2 0.0112 0.3159 0.4663
Schistosoma mansoni hypothetical protein 0.0167 0.5147 0.5028
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2492 0.3456
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0328 0.1284
Schistosoma mansoni terminal deoxycytidyl transferase 0.0034 0.0383 0.0147
Onchocerca volvulus 0.0112 0.3159 0.3857
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus multilocularis neuropeptide Y receptor 0.0112 0.3159 0.5949
Echinococcus multilocularis serotonin receptor 0.0112 0.3159 0.5949
Trypanosoma brucei DNA polymerase IV, putative 0.0062 0.1355 0.5313
Plasmodium falciparum glutathione reductase 0.0095 0.2551 1
Schistosoma mansoni neuropeptide receptor 0.0112 0.3159 0.2991
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0112 0.3159 0.2991
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0112 0.3159 0.2991
Leishmania major trypanothione reductase 0.0095 0.2551 1
Onchocerca volvulus 0.0112 0.3159 0.3857
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0112 0.3159 0.3857
Loa Loa (eye worm) glutathione reductase 0.0095 0.2551 0.3546
Echinococcus granulosus sex peptide receptor 0.0112 0.3159 0.5982
Echinococcus multilocularis orexin receptor type 2 0.0112 0.3159 0.5949
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2492 0.9735
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1562 0.5552
Schistosoma mansoni neuropeptide receptor 0.0112 0.3159 0.2991
Echinococcus multilocularis geminin 0.0167 0.5147 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0328 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0545 0.0623
Trichomonas vaginalis set domain proteins, putative 0.0242 0.7809 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0112 0.3159 0.2991
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0112 0.3159 0.5949
Mycobacterium ulcerans DNA polymerase IV 0.0062 0.1355 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0034 0.0383 0.022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Echinococcus multilocularis serotonin receptor 0.0112 0.3159 0.5949
Schistosoma mansoni hypothetical protein 0.0112 0.3159 0.2991
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0112 0.3159 0.2991
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Echinococcus multilocularis somatostatin receptor 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0112 0.3159 0.5949
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2492 0.2976
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0112 0.3159 0.5949
Schistosoma mansoni histamine h1 receptor 0.0112 0.3159 0.2991
Echinococcus multilocularis g-protein coupled receptor 0.0112 0.3159 0.5949
Echinococcus granulosus neuropeptide receptor 0.0112 0.3159 0.5982
Entamoeba histolytica deoxycytidyl transferase, putative 0.0034 0.0383 0.0197
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0112 0.3159 0.5982
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.0624 0.1335
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.2551 0.4753
Echinococcus multilocularis neuropeptide receptor 0.0112 0.3159 0.5949
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.1262 0.1568
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0112 0.3159 0.2991
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0062 0.1355 0.1374
Echinococcus granulosus neuropeptide Y receptor 0.0112 0.3159 0.5982
Schistosoma mansoni adenoreceptor 0.0112 0.3159 0.2991
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0328 0.0179
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Schistosoma mansoni opsin-like receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Onchocerca volvulus 0.0112 0.3159 0.3857
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0112 0.3159 0.4479
Echinococcus multilocularis neuropeptide FF receptor 2 0.0112 0.3159 0.5949
Onchocerca volvulus 0.0112 0.3159 0.3857
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0112 0.3159 0.4479
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Trypanosoma cruzi DNA polymerase kappa, putative 0.0062 0.1355 0.4623
Echinococcus granulosus hypothetical protein 0.0112 0.3159 0.5982
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Schistosoma mansoni biogenic amine receptor 0.0112 0.3159 0.2991
Echinococcus granulosus serotonin receptor 0.0112 0.3159 0.5982
Schistosoma mansoni biogenic amine (5HT) receptor 0.0112 0.3159 0.2991
Onchocerca volvulus 0.0112 0.3159 0.3857
Echinococcus multilocularis allatostatin A receptor 0.0112 0.3159 0.5949
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.037 0.0056
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0112 0.3159 0.5949
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Brugia malayi Thioredoxin reductase 0.0095 0.2551 0.3762
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0112 0.3159 0.4663
Echinococcus multilocularis g protein coupled receptor 0.0112 0.3159 0.5949
Mycobacterium tuberculosis Probable oxidoreductase 0.0241 0.7776 1
Onchocerca volvulus 0.0112 0.3159 0.3857
Echinococcus granulosus dna polymerase kappa 0.0062 0.1355 0.2336
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0112 0.3159 0.5949
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.0624 0.0399
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0112 0.3159 0.5949
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0112 0.3159 0.5982
Echinococcus granulosus somatostatin receptor 0.0112 0.3159 0.5982
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0034 0.0383 0.0292
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0217 0.691 0.8837
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Echinococcus granulosus 7tm_1 domain containing protein 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi ImpB/MucB/SamB family protein 0.0034 0.0383 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0241 0.0946
Brugia malayi hypothetical protein 0.0149 0.4498 0.6648
Brugia malayi AKH receptor 0.0112 0.3159 0.4663
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0112 0.3159 0.4663
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi neuropeptide F receptor 0.0112 0.3159 0.4663
Onchocerca volvulus 0.0112 0.3159 0.3857
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0241 0.7776 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0112 0.3159 0.2991
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2492 0.4634
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0034 0.0383 0.0371
Schistosoma mansoni neuropeptide f receptor 76f 0.0112 0.3159 0.2991
Brugia malayi Pre-SET motif family protein 0.0212 0.6758 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.1562 0.2754
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.2551 0.2985
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1562 0.5552
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0112 0.3159 0.5949
Echinococcus granulosus allatostatin A receptor 0.0112 0.3159 0.5982
Echinococcus granulosus neuropeptides capa receptor 0.0112 0.3159 0.5982
Brugia malayi ORL1-like opioid receptor 0.0112 0.3159 0.4663
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Schistosoma mansoni neuropeptide F-like receptor 0.0112 0.3159 0.2991
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.1562 0.1355
Onchocerca volvulus 0.0112 0.3159 0.3857
Echinococcus granulosus dna polymerase eta 0.0034 0.0383 0.0371
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Echinococcus multilocularis neuropeptide receptor A26 0.0112 0.3159 0.5949
Plasmodium falciparum plasmepsin I 0.0059 0.1262 0.4202
Echinococcus granulosus alpha 1A adrenergic receptor 0.0112 0.3159 0.5982
Schistosoma mansoni biogenic amine receptor 0.0112 0.3159 0.2991
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.024 0.0081
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0112 0.3159 0.5982
Echinococcus multilocularis neuropeptide s receptor 0.0112 0.3159 0.5949
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.2551 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0112 0.3159 0.5982
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0241 0.0946
Onchocerca volvulus 0.0112 0.3159 0.3857
Brugia malayi Pre-SET motif family protein 0.003 0.024 0.0334
Echinococcus multilocularis neuropeptide Y receptor 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus granulosus expressed protein 0.0034 0.037 0.0344
Brugia malayi putative neuropeptide receptor NPR1 0.0112 0.3159 0.4663
Schistosoma mansoni hypothetical protein 0.0112 0.3159 0.2991
Schistosoma mansoni kinase 0.0047 0.0848 0.0623
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0804 0.0636
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Echinococcus granulosus orexin receptor type 2 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Echinococcus granulosus tm gpcr rhodopsin 0.0112 0.3159 0.5982
Loa Loa (eye worm) neuropeptide F receptor 0.0112 0.3159 0.4479
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0217 0.691 0.8837
Schistosoma mansoni amine GPCR 0.0112 0.3159 0.2991
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0328 0.0379
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.1562 0.2028
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) G-protein coupled receptor 0.0112 0.3159 0.4479
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0217 0.691 0.8837
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.2551 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi glutathione reductase 0.0095 0.2551 0.3762
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0341 0.006
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2492 0.9735
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0034 0.0383 0.0147
Schistosoma mansoni hypothetical protein 0.0112 0.3159 0.2991
Plasmodium falciparum plasmepsin VI 0.0059 0.1262 0.4202
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0383 0.025
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2492 1
Brugia malayi G protein-coupled receptor 0.0112 0.3159 0.4663
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0328 0.1284
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Echinococcus multilocularis G protein coupled receptor 139 0.0112 0.3159 0.5949
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0328 0.0379
Schistosoma mansoni neuropeptide receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Onchocerca volvulus 0.0112 0.3159 0.3857
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0328 0.0464
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.6758 1
Schistosoma mansoni myosin xvIII 0.0112 0.3159 0.2991
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0112 0.3159 0.5949
Toxoplasma gondii thioredoxin reductase 0.0095 0.2551 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0149 0.4498 0.6532
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Treponema pallidum NADH oxidase 0.0033 0.0328 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Echinococcus granulosus neuropeptide s receptor 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0241 0.0946
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.037 0.0199
Giardia lamblia DINP protein human, muc B family 0.0041 0.0624 0.1372
Leishmania major DNA polymerase kappa, putative 0.0041 0.0624 0.1335
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0112 0.3159 0.5982
Brugia malayi RE15519p 0.0112 0.3159 0.4663
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Onchocerca volvulus 0.0242 0.7809 1
Brugia malayi neuropeptide F receptor 0.0112 0.3159 0.4663
Onchocerca volvulus Neuropeptide F receptor homolog 0.0112 0.3159 0.3857
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0504 0.1975
Echinococcus granulosus tm gpcr rhodopsin 0.0112 0.3159 0.5982
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0341 0.0437
Echinococcus granulosus dro:myosuppressin receptor 0.0112 0.3159 0.5982
Plasmodium falciparum plasmepsin II 0.0059 0.1262 0.4202
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0624 0.2448
Schistosoma mansoni hypothetical protein 0.0167 0.5147 0.5028
Schistosoma mansoni biogenic amine (5HT) receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0112 0.3159 0.4479
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0112 0.3159 0.5949
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1562 0.6123
Brugia malayi Melatonin receptor type 1A 0.0112 0.3159 0.4663
Schistosoma mansoni biogenic amine receptor 0.0112 0.3159 0.2991
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.1562 0.2694
Echinococcus multilocularis neuropeptides capa receptor 0.0112 0.3159 0.5949
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.037 0.0527
Trypanosoma cruzi DNA polymerase kappa, putative 0.0062 0.1355 0.4623
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0328 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0112 0.3159 0.5949
Schistosoma mansoni alpha-1 adrenergic receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Trypanosoma brucei unspecified product 0.0055 0.1114 0.4368
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.1262 0.4422
Brugia malayi Serotonin receptor 0.0112 0.3159 0.4663
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2492 0.459
Onchocerca volvulus 0.0112 0.3159 0.3857
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.2551 0.3546
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus granulosus G protein coupled receptor 139 0.0112 0.3159 0.5982
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2492 0.3674
Echinococcus granulosus 7TM GPCR rhodopsin 0.0112 0.3159 0.5982
Trichomonas vaginalis DNA polymerase eta, putative 0.0062 0.1355 0.1374
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.1262 0.4422
Trypanosoma brucei DNA polymerase IV, putative 0.0062 0.1355 0.5313
Trypanosoma brucei polo-like protein kinase 0.0093 0.2492 0.9769
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus multilocularis G-protein coupled receptor, putative 0.0112 0.3159 0.5949
Brugia malayi Tachykinin-like peptides receptor 99D 0.0112 0.3159 0.4663
Schistosoma mansoni amine GPCR 0.0112 0.3159 0.2991
Mycobacterium tuberculosis Conserved hypothetical protein 0.0034 0.0383 0.0075
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.1262 0.1249
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.1562 0.5676
Echinococcus granulosus tm gpcr rhodopsin 0.0112 0.3159 0.5982
Brugia malayi G protein-coupled receptor F59B2.13 0.0112 0.3159 0.4663
Echinococcus multilocularis expressed protein 0.0034 0.037 0.0264
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0112 0.3159 0.4663
Onchocerca volvulus 0.0112 0.3159 0.3857
Onchocerca volvulus 0.0112 0.3159 0.3857
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0112 0.3159 0.2991
Trichomonas vaginalis rotamase, putative 0.0034 0.037 0.0056
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.1262 0.2083
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Brugia malayi putative neuropeptide receptor 0.0112 0.3159 0.4663
Mycobacterium tuberculosis Probable dehydrogenase 0.0217 0.691 0.8837
Loa Loa (eye worm) TYRA-2 protein 0.0112 0.3159 0.4479
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi sulfakinin receptor protein 0.0112 0.3159 0.4663
Echinococcus granulosus geminin 0.0167 0.5147 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0241 0.7776 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0112 0.3159 0.4479
Onchocerca volvulus 0.0112 0.3159 0.3857
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0112 0.3159 0.2991
Echinococcus granulosus g protein coupled receptor 0.0112 0.3159 0.5982
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0112 0.3159 0.2991
Echinococcus multilocularis g protein coupled receptor 0.0112 0.3159 0.5949
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.538 0.5267
Plasmodium falciparum thioredoxin reductase 0.0095 0.2551 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0328 0.0379
Echinococcus granulosus fmrfamide receptor 0.0112 0.3159 0.5982
Schistosoma mansoni opsin-like receptor 0.0112 0.3159 0.2991
Giardia lamblia Kinase, PLK 0.0093 0.2492 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0328 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0055 0.1114 0.4368
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Echinococcus multilocularis sex peptide receptor 0.0112 0.3159 0.5949
Plasmodium falciparum plasmepsin IV 0.0059 0.1262 0.4202
Trypanosoma cruzi DNA polymerase kappa, putative 0.0062 0.1355 0.4623
Echinococcus granulosus g-protein coupled receptor 0.0112 0.3159 0.5982
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0112 0.3159 0.5949
Loa Loa (eye worm) melatonin receptor type 1A 0.0112 0.3159 0.4479
Brugia malayi Dopamine receptor 0.0112 0.3159 0.4663
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi Serotonin receptor 0.0112 0.3159 0.4663
Echinococcus granulosus neuropeptides capa receptor 0.0112 0.3159 0.5982
Plasmodium vivax plasmepsin IV, putative 0.0059 0.1262 0.4422
Echinococcus granulosus rhodopsin orphan GPCR 0.0112 0.3159 0.5982
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0328 0.0379
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2492 0.2893
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.1262 0.4422
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi G-protein coupled receptor 0.0112 0.3159 0.4663
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0112 0.3159 0.2991
Echinococcus multilocularis neuropeptides capa receptor 0.0112 0.3159 0.5949
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.1355 0.5313
Schistosoma mansoni amine GPCR 0.0112 0.3159 0.2991
Loa Loa (eye worm) hypothetical protein 0.0112 0.3159 0.4479
Brugia malayi hypothetical protein 0.0112 0.3159 0.4663
Brugia malayi larval opioid receptor 0.0112 0.3159 0.4663
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.1262 0.2147

Activities

Activity type Activity value Assay description Source Reference
cLogP (ADMET) = 5 Partition coefficient of the compound ChEMBL. 10360745
IC50 (binding) = 6.4 nM Inhibitory activity against purified recombinant human renin ChEMBL. 10360745
IC50 (binding) = 6.4 nM Inhibitory activity against purified recombinant human renin ChEMBL. 10360745
IC50 (binding) = 1400 nM Inhibitory activity against human plasma renin ChEMBL. 10360745
IC50 (binding) = 1400 nM Inhibitory activity against human plasma renin ChEMBL. 10360745
Log Kw = 4.9 Distribution coefficient of the compound was determined at pH 7.4 ChEMBL. 10360745
Ratio (binding) = 220 Ratio of IC50 against human plasma renin to that of purified recombinant human renin ChEMBL. 10360745
Ratio (binding) = 220 Ratio of IC50 against human plasma renin to that of purified recombinant human renin ChEMBL. 10360745

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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