Detailed information for compound 152270

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 528.62 | Formula: C29H41N2O5P
  • H donors: 2 H acceptors: 4 LogP: 5.57 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC[C@H](c1ccc(cc1)C)NC(=O)N1C(=O)C([C@@H]1Oc1ccc(cc1)CP(=O)(CCC)O)(CC)CC
  • InChi: 1S/C29H41N2O5P/c1-6-10-25(23-15-11-21(5)12-16-23)30-28(33)31-26(32)29(8-3,9-4)27(31)36-24-17-13-22(14-18-24)20-37(34,35)19-7-2/h11-18,25,27H,6-10,19-20H2,1-5H3,(H,30,33)(H,34,35)/t25-,27+/m1/s1
  • InChiKey: BFYMCZHLFKPUOB-VPUSJEBWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.0565 0.0609
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2595 1
Echinococcus multilocularis protein jagged 1 0.0017 0.0306 0.0089
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2594 0.9998
Brugia malayi Animal haem peroxidase family protein 0.0052 0.1471 1
Onchocerca volvulus 0.0043 0.1168 0.7401
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Giardia lamblia High cysteine protein 0.0017 0.0306 0.5
Echinococcus multilocularis neural cadherin 0.0017 0.0306 0.0089
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0565 0.0609
Schistosoma mansoni laminin gamma-3 chain 0.0017 0.0306 0.0323
Loa Loa (eye worm) animal heme peroxidase 0.0052 0.1471 1
Loa Loa (eye worm) animal heme peroxidase 0.0052 0.1471 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0017 0.0306 0.0323
Brugia malayi Animal haem peroxidase family protein 0.0052 0.1471 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0615 0.0663
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0471 0.0508
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.054 0.0582
Trypanosoma cruzi UDP-galactopyranose mutase 0.0022 0.0471 0.0878
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Echinococcus granulosus protein jagged 2 0.0017 0.0306 0.0089
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0471 0.0469
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Echinococcus granulosus neurogenic locus notch protein 0.0017 0.0306 0.0089
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0615 0.6337
Brugia malayi Animal haem peroxidase family protein 0.0052 0.1471 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0565 0.0565
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2594 0.9998
Mycobacterium tuberculosis Possible oxidoreductase 0.0022 0.0471 0.0508
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Mycobacterium ulcerans polyketide synthase 0.0024 0.0565 0.0565
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0022 0.0471 1
Brugia malayi Calcium binding EGF domain containing protein 0.0017 0.0306 0.2077
Schistosoma mansoni notch 0.0017 0.0306 0.0323
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0416 0.0448
Echinococcus granulosus notch 0.0017 0.0306 0.0089
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2594 0.9998
Onchocerca volvulus 0.0022 0.0471 0.142
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Echinococcus multilocularis notch 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Mycobacterium ulcerans thioesterase 0.002 0.0429 0.0429
Echinococcus multilocularis 0.0022 0.0471 0.0469
Loa Loa (eye worm) hypothetical protein 0.0014 0.0206 0.0608
Toxoplasma gondii EGF family domain-containing protein 0.0017 0.0306 0.3179
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0267 0.5631
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0615 0.0615
Onchocerca volvulus 0.0023 0.0511 0.1762
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0471 0.2576
Mycobacterium ulcerans polyketide synthase Pks9 0.0016 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0022 0.0471 0.1697
Loa Loa (eye worm) hypothetical protein 0.0022 0.0471 0.2576
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Brugia malayi hypothetical protein 0.0052 0.1471 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0471 0.2576
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0471 1
Echinococcus granulosus neural cadherin 0.0017 0.0306 0.0089
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0022 0.0471 0.6826
Echinococcus granulosus neurogenic locus notch protein 0.0017 0.0306 0.0089
Loa Loa (eye worm) Notch2 0.0017 0.0306 0.1347
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0016 0.0288 0.0288
Trypanosoma brucei trans-sialidase, putative 0.0085 0.2595 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0615 0.6337
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0565 0.0565
Trypanosoma brucei trans-sialidase, putative 0.0085 0.2595 1
Trypanosoma brucei trans-sialidase 0.0085 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0471 0.2576
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0615 0.0663
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Leishmania major UDP-galactopyranose mutase 0.0022 0.0471 1
Onchocerca volvulus Peroxidase homolog 0.0052 0.1471 1
Onchocerca volvulus 0.0052 0.1471 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Mycobacterium ulcerans oxidoreductase 0.0022 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Echinococcus multilocularis protein jagged 1 0.0017 0.0306 0.0089
Brugia malayi Animal haem peroxidase family protein 0.0052 0.1471 1
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2595 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0017 0.0306 0.2077
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0022 0.0471 0.0471
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0471 1
Loa Loa (eye worm) notch protein 0.0017 0.0306 0.1347
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2595 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0022 0.0471 0.484
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.1219 0.7836
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.0565 0.3838
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0022 0.0471 0.0469
Loa Loa (eye worm) hypothetical protein 0.0041 0.1119 0.7385
Brugia malayi Muscle positioning protein 4 0.0017 0.0306 0.2077
Brugia malayi Delta serrate ligand family protein 0.0017 0.0306 0.2077
Trypanosoma cruzi trans-sialidase, putative 0.0085 0.2594 0.9998
Brugia malayi amine oxidase, flavin-containing family protein 0.0022 0.0471 0.3203
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0267 0.0288
Trypanosoma cruzi UDP-galactopyranose mutase 0.0022 0.0471 0.0878
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0511 0.3474
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0471 0.0469
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0968 0.0968
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Mycobacterium ulcerans monoamine oxidase 0.0022 0.0471 0.0471
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0022 0.0471 1
Brugia malayi Animal haem peroxidase family protein 0.0052 0.1471 1
Echinococcus multilocularis neurogenic locus protein delta 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Onchocerca volvulus Peroxidasin homolog 0.0052 0.1471 1
Schistosoma mansoni notch 0.0017 0.0306 0.0323
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0615 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0267 0.2322
Mycobacterium ulcerans thioesterase TesA 0.002 0.0429 0.0429
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0511 0.0551
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0278 0.2574
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0016 0.0288 0.2941
Echinococcus granulosus protein jagged 1 0.0017 0.0306 0.0089
Loa Loa (eye worm) animal heme peroxidase 0.0052 0.1471 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0022 0.0471 0.1697
Schistosoma mansoni notch 0.0017 0.0306 0.0323
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0267 0.2322
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0565 0.0609
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0968 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0267 0.5631
Echinococcus granulosus fibropellin Ia 0.0017 0.0306 0.0089
Schistosoma mansoni peroxidasin 0.0052 0.1471 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0968 0.1043
Echinococcus multilocularis protein jagged 2 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.0565 0.581
Brugia malayi Peroxidasin 0.0052 0.1471 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0968 0.1043
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0008 0.003 0.0032
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0405 0.4155
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Echinococcus multilocularis neurogenic locus notch protein 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Brugia malayi Cadherin domain containing protein 0.0017 0.0306 0.2077
Echinococcus granulosus neurogenic locus protein delta 0.0017 0.0306 0.0089
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.1295 0.88
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0267 0.1813
Echinococcus granulosus neurogenic locus notch protein 4 0.0017 0.0306 0.0089
Onchocerca volvulus 0.0052 0.1471 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0405 0.0405
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0405 0.0405
Echinococcus multilocularis slit 2 protein 0.0017 0.0306 0.0089
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0286 0.9278 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Toxoplasma gondii histone lysine-specific demethylase 0.0022 0.0471 0.6826
Schistosoma mansoni septate junction protein 0.0017 0.0306 0.0323
Echinococcus multilocularis neurogenic locus notch protein 4 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Echinococcus granulosus protein jagged 2 0.0017 0.0306 0.0089
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0615 0.6337
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0022 0.0471 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0335 0.0361
Echinococcus granulosus peroxidasin 0.0052 0.1471 0.2763
Mycobacterium ulcerans polyketide synthase 0.0026 0.0615 0.0615
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0615 0.0663
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Schistosoma mansoni slit 0.0017 0.0306 0.0323
Trypanosoma brucei trans-sialidase, putative 0.0085 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0429 0.0462
Schistosoma mansoni notch 0.0017 0.0306 0.0323
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Schistosoma mansoni peroxidasin 0.0052 0.1471 1
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Onchocerca volvulus Peroxidasin homolog 0.0052 0.1471 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0429 0.4398
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Echinococcus granulosus nuclear factor of activated T cells 5 0.0146 0.4626 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Loa Loa (eye worm) blistered cuticle protein 3 0.0052 0.1471 1
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.054 0.0582
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Onchocerca volvulus 0.0052 0.1471 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0307 1 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0022 0.0471 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0565 0.0565
Brugia malayi Calcium binding EGF domain containing protein 0.0017 0.0306 0.2077
Trypanosoma brucei trans-sialidase, putative 0.0085 0.2595 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.033 0.3708
Schistosoma mansoni hypothetical protein 0.0017 0.0306 0.0323
Brugia malayi Blistered cuticle protein 3 0.0052 0.1471 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0146 0.4626 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.0565 0.581
Loa Loa (eye worm) hypothetical protein 0.0022 0.0471 0.2576
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Brugia malayi Calcium binding EGF domain containing protein 0.0017 0.0306 0.2077
Onchocerca volvulus Chorion peroxidase homolog 0.0052 0.1471 1
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0005 0.0005
Echinococcus multilocularis neurogenic locus notch protein 0.0017 0.0306 0.0089
Schistosoma mansoni amine oxidase 0.0022 0.0471 0.1697
Plasmodium falciparum protoporphyrinogen oxidase 0.0022 0.0471 1
Mycobacterium ulcerans dehydrogenase 0.0022 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Echinococcus multilocularis peroxidasin 0.0052 0.1471 0.2763
Brugia malayi SWIRM domain containing protein 0.0022 0.0471 0.3203
Echinococcus multilocularis protoporphyrinogen oxidase 0.0022 0.0471 0.0469
Chlamydia trachomatis protoporphyrinogen oxidase 0.0022 0.0471 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0267 0.1813
Onchocerca volvulus Peroxidase homolog 0.0052 0.1471 1
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Schistosoma mansoni notch 0.0017 0.0306 0.0323
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Echinococcus granulosus delta-like protein 1 0.0017 0.0306 0.0089
Onchocerca volvulus Dual oxidase homolog 0.0052 0.1471 1
Loa Loa (eye worm) animal heme peroxidase 0.0052 0.1471 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0471 0.2576
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0005 0.0006
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Echinococcus multilocularis neurogenic locus protein delta 0.0017 0.0306 0.0089
Echinococcus granulosus slit 2 protein 0.0017 0.0306 0.0089
Brugia malayi EGF-like domain containing protein 0.0017 0.0306 0.2077
Brugia malayi Cadherin domain containing protein 0.0017 0.0306 0.2077
Trypanosoma brucei trans-sialidase, putative 0.0085 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0565 0.0565
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0017 0.0306 0.0089
Echinococcus granulosus protein jagged 1 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0079 0.0085
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0267 0.1058
Schistosoma mansoni cell polarity protein 0.0017 0.0306 0.0323
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0085 0.2595 1
Brugia malayi notch-like transmembrane receptor 0.0017 0.0306 0.2077
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347
Schistosoma mansoni notch 0.0017 0.0306 0.0323
Schistosoma mansoni amine oxidase 0.0022 0.0471 0.1697
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0511 0.2872
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0554 0.3189
Brugia malayi GCC2 and GCC3 family protein 0.0017 0.0306 0.2077
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0213 0.0229
Brugia malayi hypothetical protein 0.0022 0.0471 0.3203
Echinococcus multilocularis fibropellin Ia 0.0017 0.0306 0.0089
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.1347

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 15 % In vivo inhibition in HLE-induced hamster lung hemorrhage when given orally at 10mg/kg, 2 hr before challenge by HLE ChEMBL. No reference
Inhibition (functional) = 50 % In vitro inhibition of Human Leukocyte Elastase enzyme in whole blood stimulated with A-23,187 (at dose 3 uM) ChEMBL. No reference
Inhibition (functional) = 50 % In vitro inhibition of Human Leukocyte Elastase enzyme in whole blood stimulated with A-23,187 (at dose 3 uM) ChEMBL. No reference
Ratio (binding) = 906000 M-1 s-1 Compound was tested for inhibition of Human Leukocyte Elastase enzyme, expressed in term of bimolecular rate constant(Kinact/Ki) ChEMBL. No reference
Ratio (binding) = 906000 M-1 s-1 Compound was tested for inhibition of Human Leukocyte Elastase enzyme, expressed in term of bimolecular rate constant(Kinact/Ki) ChEMBL. No reference

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

No literature references available for this target.

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