Detailed information for compound 1248156

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.534 | Formula: C26H30FN3O
  • H donors: 1 H acceptors: 1 LogP: 4.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1C)Cc1c(C(=O)N2CCNCC2)c2c(n1C1CCCC1)cccc2
  • InChi: 1S/C26H30FN3O/c1-18-19(7-6-11-22(18)27)17-24-25(26(31)29-15-13-28-14-16-29)21-10-4-5-12-23(21)30(24)20-8-2-3-9-20/h4-7,10-12,20,28H,2-3,8-9,13-17H2,1H3
  • InChiKey: GEERKPOHXIOJBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 II Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, 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
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 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
Toxoplasma gondii aspartyl protease ASP1 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 berghei plasmepsin IV 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 yoelii plasmepsin 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
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) 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
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) 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
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain 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 berghei plasmepsin VI 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
Neospora caninum Pepsinogen A1, related 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 japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative 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 knowlesi aspartyl protease, 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
Plasmodium falciparum plasmepsin VI 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
Schistosoma mansoni cathepsin D (A01 family) 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
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
Schistosoma mansoni cathepsin D (A01 family) 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
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
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0107 0.0231
Onchocerca volvulus 0.0051 0.0308 0.0843
Mycobacterium leprae Probable lipase LipE 0.0041 0.015 0.1016
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0275 0.3657 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0275 0.3657 0.3657
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0038 0.0107 0.0293
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0038 0.0107 0.0293
Onchocerca volvulus 0.0041 0.015 0.041
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0275 0.3657 1
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0038 0.0107 0.0726
Loa Loa (eye worm) hypothetical protein 0.0096 0.0985 0.2693
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Echinococcus multilocularis survival motor neuron protein 1 0.0251 0.3311 0.3311
Brugia malayi AMP-binding enzyme family protein 0.0129 0.1474 0.403
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0096 0.0985 0.6681
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.015 0.0478
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.015 0.0357
Brugia malayi AMP-binding enzyme family protein 0.0038 0.0107 0.0293
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0275 0.3657 1
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0038 0.0107 0.1087
Toxoplasma gondii ABC1 family protein 0.0041 0.015 0.3533
Loa Loa (eye worm) hypothetical protein 0.0096 0.0985 0.2693
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0322 0.0882
Loa Loa (eye worm) hypothetical protein 0.0036 0.0075 0.0204
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0038 0.0107 0.0293
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.2148 0.2148
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.015 0.041
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.041
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0658 0.0658
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0275 0.3657 1
Mycobacterium ulcerans acetyl-CoA synthetase 0.0038 0.0107 0.0726
Leishmania major 4-coumarate:coa ligase-like protein 0.0129 0.1474 0.385
Brugia malayi beta-lactamase family protein 0.0041 0.015 0.041
Loa Loa (eye worm) hypothetical protein 0.0129 0.1474 0.403
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0038 0.0107 0.0293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0107 0.0231
Loa Loa (eye worm) hypothetical protein 0.0275 0.3657 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.015 0.0357
Loa Loa (eye worm) hypothetical protein 0.0096 0.0985 0.2693
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Mycobacterium tuberculosis Conserved protein 0.0041 0.015 0.0357
Entamoeba histolytica hypothetical protein 0.0075 0.0658 0.4467
Mycobacterium ulcerans beta-lactamase 0.0041 0.015 0.1016
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0129 0.1474 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0038 0.0107 0.0342
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0038 0.0107 0.0293
Entamoeba histolytica hypothetical protein 0.0075 0.0658 0.4467
Mycobacterium ulcerans acyl-CoA synthetase 0.0129 0.1474 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.0424 0.1159
Loa Loa (eye worm) oxidoreductase 0.0038 0.0107 0.0293
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.015 0.1016
Loa Loa (eye worm) hypothetical protein 0.0038 0.0107 0.0293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0091 0.0906 0.2571
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0038 0.0107 0.0293
Entamoeba histolytica hypothetical protein 0.0075 0.0658 0.4467
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.015 0.041
Loa Loa (eye worm) hypothetical protein 0.0059 0.0424 0.1159
Mycobacterium ulcerans hypothetical protein 0.0041 0.015 0.1016
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0275 0.3657 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.015 0.041
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.015 0.041
Onchocerca volvulus 0.0041 0.015 0.041
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.015 0.015
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0038 0.0107 0.0231
Mycobacterium ulcerans acyl-CoA synthetase 0.0129 0.1474 1
Brugia malayi AMP-binding enzyme family protein 0.0038 0.0107 0.0293
Onchocerca volvulus 0.0038 0.0107 0.0293
Trichomonas vaginalis antibiotic synthetase, putative 0.0038 0.0107 0.0342
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0038 0.0107 0.0726
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0038 0.0107 0.0107
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0075 0.0204
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.0424 0.1354
Brugia malayi hypothetical protein 0.0251 0.3311 0.9055
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0038 0.0107 0.0726
Plasmodium falciparum plasmepsin II 0.0059 0.0424 0.4305
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0275 0.3657 1
Brugia malayi AMP-binding enzyme family protein 0.0038 0.0107 0.0293
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0038 0.0107 0.0726
Echinococcus granulosus lysosomal protective protein 0.0275 0.3657 0.3657
Leishmania major hypothetical protein, conserved 0.0041 0.015 0.012
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0129 0.1474 1
Brugia malayi AMP-binding enzyme family protein 0.0129 0.1474 0.403
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0091 0.0906 0.2571
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.041
Schistosoma mansoni acetyl-CoA synthetase 0.0038 0.0107 0.0107
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0129 0.1474 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0322 0.0882
Loa Loa (eye worm) hypothetical protein 0.0096 0.0985 0.2693
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0107 0.0293
Plasmodium vivax plasmepsin IV, putative 0.0059 0.0424 0.4305
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.0424 0.0424
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0038 0.0107 0.2525
Leishmania major 4-coumarate:coa ligase-like protein 0.0129 0.1474 0.385
Mycobacterium ulcerans lipase LipD 0.0041 0.015 0.1016
Loa Loa (eye worm) hypothetical protein 0.0129 0.1474 0.403
Trichomonas vaginalis esterase, putative 0.0041 0.015 0.0478
Trichomonas vaginalis set domain proteins, putative 0.0239 0.313 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.015 0.1016
Plasmodium falciparum plasmepsin I 0.0059 0.0424 0.4305
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0275 0.3657 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0038 0.0107 0.0231
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0031 0 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0107 0.0231
Plasmodium vivax acyl-CoA synthetase, putative 0.0096 0.0985 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.015 0.015
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0038 0.0107 0.2525
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0247 0.325 0.325
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0275 0.3657 0.3657
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0275 0.3657 1
Brugia malayi beta-lactamase family protein 0.0041 0.015 0.041
Mycobacterium leprae conserved hypothetical protein 0.0041 0.015 0.1016
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0275 0.3657 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.015 0.0357
Onchocerca volvulus 0.0038 0.0107 0.0293
Loa Loa (eye worm) hypothetical protein 0.0251 0.3311 0.9055
Onchocerca volvulus 0.0041 0.015 0.041
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.015 0.041
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0038 0.0107 0.0726
Onchocerca volvulus 0.0239 0.313 0.8559
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0322 0.0882
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.015 0.0478
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0129 0.1474 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0129 0.1474 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.015 0.015
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Schistosoma mansoni hypothetical protein 0.0036 0.0075 0.0075
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0038 0.0107 0.0231
Mycobacterium tuberculosis Conserved protein 0.0041 0.015 0.0357
Echinococcus multilocularis lysosomal protective protein 0.0275 0.3657 0.3657
Schistosoma mansoni microtubule-associated protein tau 0.0697 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0247 0.325 0.325
Brugia malayi hypothetical protein 0.0075 0.0658 0.18
Echinococcus multilocularis microtubule associated protein 2 0.0697 1 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0038 0.0107 0.0726
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.015 0.0478
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.0424 1
Plasmodium falciparum plasmepsin VI 0.0059 0.0424 0.4305
Plasmodium falciparum acyl-CoA synthetase 0.0096 0.0985 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.041
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.0424 0.0424
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0038 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0129 0.1474 0.403
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0038 0.0107 0.0726
Onchocerca volvulus 0.0038 0.0107 0.0293
Toxoplasma gondii propionate-CoA ligase 0.0038 0.0107 0.2525
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2694 0.7367
Brugia malayi beta-lactamase 0.0041 0.015 0.041
Loa Loa (eye worm) hypothetical protein 0.0096 0.0985 0.2693
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0038 0.0107 0.0293
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0129 0.1474 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.0424 1
Echinococcus granulosus survival motor neuron protein 1 0.0251 0.3311 0.3311
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.015 0.0357
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0038 0.0107 0.0293
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0107 0.0231
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.015 0.0478
Plasmodium falciparum plasmepsin IV 0.0059 0.0424 0.4305
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.015 0.0478
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0308 0.0843
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0658 0.0658
Entamoeba histolytica acyl-CoA synthetase, putative 0.0129 0.1474 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0308 0.0308
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0038 0.0107 0.0726
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.015 0.015
Entamoeba histolytica hypothetical protein 0.0075 0.0658 0.4467
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.041
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0096 0.0985 0.2802
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0038 0.0107 0.0726
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.0424 0.4305
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0038 0.0107 0.0293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0129 0.1474 0.4235
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0038 0.0107 0.0231
Mycobacterium ulcerans hypothetical protein 0.0129 0.1474 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0129 0.1474 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0091 0.0906 0.2571
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.015 0.0357
Brugia malayi Pre-SET motif family protein 0.021 0.2694 0.7367
Mycobacterium ulcerans acyl-CoA synthetase 0.0038 0.0107 0.0726
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.2148 0.2148
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0038 0.0107 0.0726
Giardia lamblia Replication factor C, subunit 1 0.0031 0 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.015 0.0357
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.041
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0658 0.0658
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0129 0.1474 1
Schistosoma mansoni hypothetical protein 0.0051 0.0308 0.0308
Schistosoma mansoni hypothetical protein 0.0075 0.0658 0.0658
Onchocerca volvulus 0.0129 0.1474 0.403
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0091 0.0906 0.2571
Loa Loa (eye worm) beta-lactamase 0.0041 0.015 0.041
Brugia malayi AMP-binding enzyme family protein 0.0129 0.1474 0.403
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0275 0.3657 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.0424 0.0424
Leishmania major 4-coumarate:coa ligase-like protein 0.0129 0.1474 0.385
Plasmodium vivax hypothetical protein, conserved 0.0041 0.015 0.1521
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.041
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0038 0.0107 0.0726
Treponema pallidum DNA ligase (lig) 0.0031 0 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0096 0.0985 1
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.015 0.0357
Entamoeba histolytica acyl-CoA synthetase, putative 0.0129 0.1474 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0038 0.0107 0.1087
Brugia malayi AMP-binding enzyme family protein 0.0038 0.0107 0.0293
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0129 0.1474 0.4235
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0038 0.0107 0.0231
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.3441 1
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.015 0.0357
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0038 0.0107 0.0231
Loa Loa (eye worm) hypothetical protein 0.0038 0.0107 0.0293
Onchocerca volvulus 0.0038 0.0107 0.0293
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0038 0.0107 0.0726
Loa Loa (eye worm) hypothetical protein 0.0052 0.0322 0.0882
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0038 0.0107 0.0231

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.02 uM Inhibition of human recombinant renin using fluorogenic substrate by microplate spectrofluorimeter ChEMBL. 20850300

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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