Detailed information for compound 1005503

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1563.86 | Formula: C65H122N30O15
  • H donors: 26 H acceptors: 15 LogP: -11.18 Rotable bonds: 70
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1(CCCC1)C(=O)O)CCCNC(=N)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)CCC(=O)N)CCCNC(=N)N)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N
  • InChi: 1S/C65H122N30O15/c1-35(85-49(99)39(17-9-29-80-60(70)71)89-55(105)44(23-24-46(68)97)93-57(107)45-22-14-34-95(45)58(108)47(69)36(2)96)48(98)86-40(18-10-30-81-61(72)73)52(102)90-42(20-12-32-83-63(76)77)54(104)91-41(19-11-31-82-62(74)75)53(103)88-37(15-3-7-27-66)50(100)87-38(16-4-8-28-67)51(101)92-43(21-13-33-84-64(78)79)56(106)94-65(59(109)110)25-5-6-26-65/h35-45,47,96H,3-34,66-67,69H2,1-2H3,(H2,68,97)(H,85,99)(H,86,98)(H,87,100)(H,88,103)(H,89,105)(H,90,102)(H,91,104)(H,92,101)(H,93,107)(H,94,106)(H,109,110)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)/t35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
  • InChiKey: FKKHHNUMNBHCRT-CVMMYQQXSA-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 furin (paired basic amino acid cleaving enzyme) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus multilocularis Get druggable targets OG5_127788 All targets in OG5_127788
Brugia malayi celfurPC protein Get druggable targets OG5_127788 All targets in OG5_127788
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 Get druggable targets OG5_127788 All targets in OG5_127788
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) Get druggable targets OG5_127788 All targets in OG5_127788
Loa Loa (eye worm) endoprotease bli-4 Get druggable targets OG5_127788 All targets in OG5_127788
Giardia lamblia High cysteine membrane protein Group 2 Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum Furin-like protease 1, isoforms 1/1-X/2 precursor, putative Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127788 All targets in OG5_127788
Brugia malayi endoprotease bli-4 precursor Get druggable targets OG5_127788 All targets in OG5_127788
Echinococcus granulosus furin Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum Endoprotease bli-4 precursor, putative Get druggable targets OG5_127788 All targets in OG5_127788
Candida albicans subtilisin-like endoprotease involved in processing C. albicans Sap2 Get druggable targets OG5_127788 All targets in OG5_127788
Schistosoma japonicum Proprotein convertase subtilisin/kexin type 6 precursor, putative Get druggable targets OG5_127788 All targets in OG5_127788
Candida albicans subtilisin-like endoprotease involved in processing C. albicans Sap2 Get druggable targets OG5_127788 All targets in OG5_127788
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.007 0.0056
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.3255 0.8932
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0034 0.0825 0.27
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0311 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.007 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0366 0.0353
Schistosoma mansoni hypothetical protein 0.0034 0.0825 0.1575
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0171 0.0305
Loa Loa (eye worm) hypothetical protein 0.0023 0.0471 0.0888
Onchocerca volvulus 0.0049 0.1279 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0708 0.1348
Brugia malayi glutathione reductase 0.005 0.1306 0.2507
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.029 0.0761
Brugia malayi endoprotease bli-4 precursor 0.0177 0.5166 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.029 0.0761
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0366 0.0684
Trypanosoma brucei trypanothione reductase 0.005 0.1306 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Schistosoma mansoni lamin 0.0028 0.065 0.1236
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0501 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0501 0.0945
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0501 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.1306 0.2507
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.1306 0.356
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.1055 0.3453
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0011 0.0112 0.076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.065 0.1235
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0177 0.5166 1
Giardia lamblia High cysteine membrane protein Group 2 0.0066 0.1784 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.3643 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.0366 0.2725
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0108 0.3055 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0008 0.0014 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0501 0.1341
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0593
Schistosoma mansoni site-1 peptidase (S08 family) 0.0008 0.0014 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0501 0.3768
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0311 0.2302
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Echinococcus multilocularis neuroendocrine convertase 2 0.0111 0.3166 0.3157
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0319 0.2365
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0366 0.2725
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0008 0.0038 0.0024
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0034 0.0825 0.27
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0011 0.0112 0.0099
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0366 0.0353
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0366 0.2725
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0311 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.1306 0.1294
Onchocerca volvulus 0.003 0.0708 0.5488
Echinococcus granulosus furin 0.0177 0.5166 0.516
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0311 0.2302
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0019 0.0366 0.2725
Schistosoma mansoni cpg binding protein 0.003 0.0708 0.1348
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0367 0.2734
Giardia lamblia GTOR 0.0019 0.0366 0.0371
Echinococcus multilocularis lamin 0.0028 0.065 0.0638
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0311 0.0298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0108 0.3055 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.0471 0.3541
Schistosoma mansoni furin-1 (S08 family) 0.0077 0.2125 0.4098
Echinococcus granulosus lamin dm0 0.0028 0.065 0.0638
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0311 0.0298
Schistosoma mansoni lamin 0.0028 0.065 0.1236
Loa Loa (eye worm) hypothetical protein 0.0028 0.065 0.1235
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0583 0.4408
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.0366 0.2725
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Echinococcus granulosus lamin 0.0028 0.065 0.0638
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0501 0.3768
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Mycobacterium ulcerans hypothetical protein 0.0024 0.0501 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0311 0.2302
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0019 0.0366 0.2725
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0366 0.5386
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.1055 0.3453
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0366 0.0683
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.1279 0.2456
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0045
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0366 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0042 0.1055 0.2021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0366 0.0683
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0945
Plasmodium falciparum glutathione reductase 0.0017 0.0311 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.3643 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0311 0.6109
Schistosoma mansoni fkbp-rapamycin associated protein 0.0011 0.0112 0.0191
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0311 0.2302
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0311 0.0819
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0012 0.0149 0.1051
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0501 1
Echinococcus granulosus serine protein kinase ATM 0.0026 0.0583 0.0571
Treponema pallidum NADH oxidase 0.0017 0.0311 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.3643 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0038 0.0123
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.0366 0.2725
Echinococcus multilocularis tumor protein p63 0.0336 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0593
Loa Loa (eye worm) hypothetical protein 0.0069 0.1895 0.3651
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0593
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0108 0.3055 0.3046
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.1055 0.3453
Schistosoma mansoni cpg binding protein 0.0032 0.0761 0.1451
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0008 0.0014 0.0001
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0008 0.0038 0.0024
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0366 0.0353
Echinococcus multilocularis Furin 1 0.0042 0.1055 0.1043
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Loa Loa (eye worm) histone methyltransferase 0.0009 0.007 0.0109
Loa Loa (eye worm) intermediate filament protein 0.0028 0.065 0.1235
Echinococcus granulosus cpg binding protein 0.0032 0.0761 0.0748
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.3255 0.8932
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0366 0.2725
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0311 0.2302
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0593
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0366 0.0683
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0311 0.1018
Loa Loa (eye worm) endoprotease bli-4 0.0177 0.5166 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0171 0.0305
Echinococcus multilocularis lamin dm0 0.0028 0.065 0.0638
Echinococcus multilocularis 0.0143 0.4125 0.4117
Loa Loa (eye worm) glutathione reductase 0.005 0.1306 0.2507
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0366 0.2314
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0311 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0366 0.2725
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0501 0.0945
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.0583 0.1106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Loa Loa (eye worm) hypothetical protein 0.0049 0.1279 0.2456
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0501 0.8245
Loa Loa (eye worm) hypothetical protein 0.0008 0.0038 0.0046
Brugia malayi FAT domain containing protein 0.0008 0.0038 0.0046
Brugia malayi proprotein convertase 2 0.0111 0.3166 0.6118
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0045
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.3255 0.8932
Echinococcus multilocularis musashi 0.0028 0.065 0.0638
Echinococcus granulosus intermediate filament protein 0.0028 0.065 0.0638
Trichomonas vaginalis hypothetical protein 0.0034 0.0825 0.27
Brugia malayi neuroendocrine convertase 1 precursor 0.0111 0.3166 0.6118
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0311 0.2302
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0367 0.2734
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0014 0.0045
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.029 0.0761
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1535 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1744 0.3359
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0501 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.065 0.1235
Schistosoma mansoni cpg binding protein 0.0032 0.0761 0.1451
Loa Loa (eye worm) hypothetical protein 0.0028 0.0634 0.1204
Schistosoma mansoni intermediate filament proteins 0.0028 0.065 0.1236
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.0583 0.0571
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.1055 0.3453
Leishmania major trypanothione reductase 0.005 0.1306 1
Brugia malayi celfurPC protein 0.0143 0.4125 0.7979
Loa Loa (eye worm) hypothetical protein 0.0177 0.5166 1
Plasmodium vivax thioredoxin reductase, putative 0.005 0.1306 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0319 0.6277
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0319 0.0842
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0149 0.0489
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0366 0.2725
Brugia malayi Thioredoxin reductase 0.005 0.1306 0.2507
Plasmodium falciparum thioredoxin reductase 0.005 0.1306 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.3643 1
Echinococcus granulosus neuroendocrine convertase 2 0.0111 0.3166 0.3157
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0012 0.0149 0.0892
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0311 0.1955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0112 0.0191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Toxoplasma gondii thioredoxin reductase 0.005 0.1306 0.8492
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0149 0.0489
Leishmania major phosphatidylinositol 3-kinase, putative 0.0019 0.0366 0.2725
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.3255 0.8932
Toxoplasma gondii FATC domain-containing protein 0.0026 0.0583 0.3744
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0311 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0202 0.0189
Onchocerca volvulus 0.0028 0.065 0.5029
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0501 0.1341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Plasmodium falciparum thioredoxin reductase 0.0017 0.0311 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Mycobacterium tuberculosis Probable reductase 0.0114 0.3255 0.8932
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0501 0.8245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0311 0.2302
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0311 0.1955
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0311 0.6109
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.3255 0.8932
Giardia lamblia Furin precursor putative serine protease 0.0034 0.0825 0.3489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0583 0.1909
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0311 0.0578
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0248 0.0454
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0008 0.0014 0.0001
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0501 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0945
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0501 0.1341
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Entamoeba histolytica hypothetical protein 0.0026 0.0583 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0366 0.0353
Onchocerca volvulus 0.0028 0.065 0.5029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0501 0.3768
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.3255 0.8932
Brugia malayi intermediate filament protein 0.0028 0.065 0.1235
Echinococcus multilocularis cpg binding protein 0.0032 0.0761 0.0748
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0311 0.2302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0311 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0319 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0026 0.0583 0.1105
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0011 0.0112 0.0099
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0026 0.0583 0.4408
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0366 0.2725
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.1306 0.1294
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0366 0.0684
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0202 0.0189
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Loa Loa (eye worm) hypothetical protein 0.0013 0.0186 0.0334
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0034 0.0825 0.27
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.1306 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0311 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0112 0.0191
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0501 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0501 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0319 0.2365
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0825 0.27
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0501 0.8245
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0066 0.0101
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0311 0.2302
Plasmodium falciparum glutathione reductase 0.005 0.1306 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0945
Loa Loa (eye worm) hypothetical protein 0.0018 0.0319 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0311 0.1018
Schistosoma mansoni hypothetical protein 0.0008 0.0038 0.0047
Onchocerca volvulus 0.0024 0.0501 0.3847
Loa Loa (eye worm) proprotein convertase 2 0.0042 0.1055 0.2021
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0366 0.2725
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.1055 0.3453
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0108 0.3055 0.3046
Plasmodium vivax glutathione reductase, putative 0.005 0.1306 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0501 0.0945
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0311 0.2302
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0708 0.1348
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0019 0.0366 0.2725
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0366 0.1197
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0263
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0311 0.6109
Loa Loa (eye worm) hypothetical protein 0.0014 0.0202 0.0365
Echinococcus granulosus Furin 1 0.0042 0.1055 0.1043
Loa Loa (eye worm) hypothetical protein 0.0013 0.0186 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0366 0.0683
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0248 0.0454
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0501 0.1341
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.029 0.0761
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0014 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0112 0.0367
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0019 0.0366 0.2725
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0311 0.2302
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0042 0.1055 0.3453

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 0.1 uM Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage ChEMBL. 17537721

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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