Detailed information for compound 1510352

Basic information

Technical information
  • TDR Targets ID: 1510352
  • Name: (1S,3aS,3bS,9aR,9bS,11aS)-5-butyl-N,N-diethyl -9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10, 11-decahydro-1H-cyclopenta[i]phenanthridine-1 -carboxamide
  • MW: 428.65 | Formula: C27H44N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2(C1=CC(=O)CC2)C)C(=O)N(CC)CC
  • InChi: 1S/C27H44N2O2/c1-6-9-16-29-18-20-21-10-11-23(25(31)28(7-2)8-3)26(21,4)15-13-22(20)27(5)14-12-19(30)17-24(27)29/h17,20-23H,6-16,18H2,1-5H3/t20-,21-,22-,23+,26-,27+/m0/s1
  • InChiKey: GCNIAMGXSPUREJ-WCGMZUJWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1S,3aS,3bS,9aR,9bS,11aS)-5-butyl-N,N-diethyl-7-keto-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens steroid-5-alpha-reductase, alpha polypeptide 2 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 2) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania donovani 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei gambiense 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Entamoeba histolytica steroid 5-alpha reductase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania mexicana 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania infantum 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania braziliensis 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Get druggable targets OG5_128852 All targets in OG5_128852
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Synaptic glycoprotein SC2 steroid-5-alpha-reductase, alpha polypeptide 2 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 2) 254 aa 208 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.006 0.0579 0.2625
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0244 0.1105
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0024 0.0024
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.042 0.1904
Echinococcus granulosus pyruvate kinase 0.0017 0.004 0.0088
Echinococcus multilocularis pyruvate kinase 0.0033 0.0244 0.0244
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0021 0.0089 0.0196
Echinococcus multilocularis pyruvate kinase 0.0033 0.0244 0.0244
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0024 0.0052
Trypanosoma brucei mitotic cyclin 6 0.0097 0.1052 0.4769
Echinococcus granulosus pyruvate kinase 0.0033 0.0244 0.0534
Loa Loa (eye worm) hypothetical protein 0.0097 0.1052 0.2306
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0189 0.2207 0.4836
Trichomonas vaginalis cyclins, putative 0.0097 0.1052 0.2306
Giardia lamblia Kinase, CMGC CDK 0.0134 0.1519 0.327
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0289 0.0633
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.042 0.1904
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0189 0.2207 1
Echinococcus multilocularis cyclin dependent kinase 0.0134 0.1519 0.1519
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0089 0.0196
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0134 0.1519 0.6884
Trypanosoma brucei aurora B kinase 0.006 0.0579 0.2625
Echinococcus granulosus cyclins 0.0041 0.0337 0.0738
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0027 0.016 0.016
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0244 0.1605
Trichomonas vaginalis cyclins, putative 0.0041 0.0337 0.0738
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0027 0.016 0.0351
Loa Loa (eye worm) AUR protein kinase 0.006 0.0579 0.1269
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0375 0.4563 1
Toxoplasma gondii hypothetical protein 0.0031 0.0213 0.0967
Echinococcus multilocularis aurora kinase A 0.006 0.0579 0.0579
Trichomonas vaginalis cyclins, putative 0.0097 0.1052 0.2306
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0021 0.0089 0.0196
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.042 0.1904
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0244 0.0534
Plasmodium falciparum serine/threonine protein kinase, putative 0.006 0.0579 0.3813
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0244 0.0534
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0105 0.1149 0.5209
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.006 0.0579 0.2625
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0105 0.1149 0.5209
Plasmodium vivax serine/threonine protein kinase 6, putative 0.006 0.0579 0.3813
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0021 0.0089 0.0196
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0246 0.2137
Onchocerca volvulus 0.0018 0.0048 0.0106
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0134 0.1519 0.6884
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0027 0.016 0.0726
Plasmodium falciparum protein kinase 5 0.0134 0.1519 1
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0117 0.0531
Schistosoma mansoni cyclin B3 0.0041 0.0337 0.0738
Brugia malayi serine/threonine protein kinase 6 0.006 0.0579 0.1269
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.004 0.0264
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0375 0.4563 1
Chlamydia trachomatis cytosol aminopeptidase 0.0105 0.1149 1
Leishmania major protein kinase, putative 0.006 0.0579 0.2625
Brugia malayi Cyclin, N-terminal domain containing protein 0.0097 0.1052 0.2306
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.042 0.1904
Entamoeba histolytica protein kinase, putative 0.006 0.0579 0.2625
Schistosoma mansoni pyruvate kinase 0.0033 0.0244 0.0534
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0105 0.1149 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1323 0.29
Trichomonas vaginalis AGC family protein kinase 0.006 0.0579 0.1269
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0189 0.2207 1
Trichomonas vaginalis CAMK family protein kinase 0.0375 0.4563 1
Loa Loa (eye worm) AUR protein kinase 0.006 0.0579 0.1269
Trichomonas vaginalis cyclin D, putative 0.0041 0.0337 0.0738
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0105 0.1149 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0041 0.0337 0.0738
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.024 0.209
Trichomonas vaginalis AGC family protein kinase 0.006 0.0579 0.1269
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0089 0.0196
Onchocerca volvulus 0.0027 0.016 0.0351
Toxoplasma gondii leucyl aminopeptidase LAP 0.0105 0.1149 0.5209
Trichomonas vaginalis CMGC family protein kinase 0.0134 0.1519 0.3329
Giardia lamblia Aurora kinase 0.006 0.0579 0.1192
Trypanosoma cruzi aurora B kinase, putative 0.006 0.0579 0.2625
Trypanosoma cruzi cyclin 6, putative 0.0097 0.1052 0.4769
Loa Loa (eye worm) hypothetical protein 0.0097 0.1052 0.2306
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.1519 0.3329
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0289 0.1309
Echinococcus multilocularis pyruvate kinase 0.0017 0.004 0.004
Echinococcus granulosus pyruvate kinase 0.0017 0.004 0.0088
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.2207 1
Entamoeba histolytica protein kinase, putative 0.006 0.0579 0.2625
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0041 0.0337 0.0738
Echinococcus granulosus pyruvate kinase 0.0017 0.004 0.0088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0024 0.0024
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0375 0.4563 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0097 0.1052 0.2306
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0117 0.0257
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0244 0.0534
Mycobacterium ulcerans leucyl aminopeptidase 0.0105 0.1149 0.5209
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.1519 0.3329
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0089 0.0089
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0189 0.2207 1
Trichomonas vaginalis cyclin B, putative 0.0041 0.0337 0.0738
Echinococcus multilocularis cyclin B 0.0097 0.1052 0.1052
Brugia malayi cytosol aminopeptidase 0.0021 0.0089 0.0196
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0289 0.1309
Echinococcus multilocularis pyruvate kinase 0.0026 0.0156 0.0156
Echinococcus multilocularis cyclin dependent kinase 1 0.0134 0.1519 0.1519
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0027 0.016 0.0351
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0289 0.1309
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0024 0.0107
Echinococcus granulosus cyclins 0.0041 0.0337 0.0738
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0089 0.0089
Brugia malayi Inositol-1 0.0037 0.0289 0.0633
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0289 0.1309
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.042 0.1904
Giardia lamblia Synaptic glycoprotein SC2 0.0027 0.016 0.0266
Trypanosoma brucei aminopeptidase, putative 0.0021 0.0089 0.0404
Loa Loa (eye worm) hypothetical protein 0.0035 0.027 0.0591
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0027 0.016 0.1055
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.042 0.3656
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0189 0.2207 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0024 0.0107
Echinococcus granulosus cyclin dependent kinase 5 0.0134 0.1519 0.3329
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.006 0.0579 0.2625
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.042 0.1904
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0289 0.0633
Trichomonas vaginalis AGC family protein kinase 0.006 0.0579 0.1269
Giardia lamblia Hypothetical protein 0.0041 0.0337 0.0656
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.027 0.0287
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0024 0.0107
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0246 0.2137
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0244 0.0534
Trypanosoma cruzi cyclin, putative 0.0097 0.1052 0.4769
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0024 0.0024
Brugia malayi cell division control protein 2 homolog 0.0134 0.1519 0.3329
Trypanosoma cruzi cdc2-related kinase 1 0.0134 0.1519 0.6884
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0027 0.016 0.1055
Trichomonas vaginalis cyclin B, putative 0.0097 0.1052 0.2306
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0289 0.1309
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0244 0.0534
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.042 0.1904
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0021 0.0089 0.0196
Trichomonas vaginalis cyclins, putative 0.0066 0.0664 0.1456
Echinococcus multilocularis cyclin dependent kinase 1 0.0134 0.1519 0.1519
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0244 0.1105
Echinococcus granulosus aurora kinase A 0.006 0.0579 0.1269
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.042 0.1904
Entamoeba histolytica protein kinase domain containing protein 0.006 0.0579 0.2625
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0027 0.016 0.0726
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0289 0.0633
Brugia malayi MH2 domain containing protein 0.0119 0.1323 0.29
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0246 0.2137
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0289 0.1309
Echinococcus multilocularis synaptic glycoprotein sc2 0.0027 0.016 0.016
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0134 0.1519 0.6884
Schistosoma mansoni cyclins 0.0041 0.0337 0.0738
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.013 0.1465 0.3212
Loa Loa (eye worm) hypothetical protein 0.0033 0.0244 0.0534
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.027 0.1223
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0027 0.016 0.0351
Trichomonas vaginalis cyclin B, putative 0.0097 0.1052 0.2306
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0244 0.0534
Trichomonas vaginalis AGC family protein kinase 0.006 0.0579 0.1269
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0134 0.1519 0.3329
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0024 0.0107
Plasmodium falciparum pyruvate kinase 2 0.0017 0.004 0.0264
Loa Loa (eye worm) hypothetical protein 0.0023 0.0117 0.0257
Mycobacterium ulcerans hypothetical protein 0.0047 0.042 0.1904
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0375 0.4563 0.4563
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1323 0.29
Brugia malayi Protein kinase domain containing protein 0.0134 0.1519 0.3329
Trypanosoma cruzi cyclin, putative 0.0097 0.1052 0.4769
Entamoeba histolytica cyclin family protein 0.0041 0.0337 0.1526
Leishmania major pyruvate kinase 0.0033 0.0244 0.1105
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.016 0.0351
Entamoeba histolytica cell division protein kinase 2, putative 0.0134 0.1519 0.6884
Schistosoma mansoni inositol monophosphatase 0.0037 0.0289 0.0633
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0097 0.1052 0.4769
Giardia lamblia Kinase, TTK 0.0375 0.4563 1
Trypanosoma brucei cdc2-related kinase 3 0.0134 0.1519 0.6884
Entamoeba histolytica cyclin, putative 0.0041 0.0337 0.1526
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0027 0.016 0.0726
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0105 0.1149 0.5209
Loa Loa (eye worm) cyclin domain-containing protein 0.0041 0.0337 0.0738
Loa Loa (eye worm) AUR protein kinase 0.006 0.0579 0.1269
Leishmania major pyruvate kinase 0.0033 0.0244 0.1105
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0024 0.0155
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0089 0.0089
Entamoeba histolytica protein kinase , putative 0.006 0.0579 0.2625
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0021 0.0089 0.0196
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.042 0.1904
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.042 0.1904
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0337 0.0738
Giardia lamblia Cyclin A 0.0041 0.0337 0.0656
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0244 0.2122
Schistosoma mansoni pyruvate kinase 0.0033 0.0244 0.0534
Schistosoma mansoni pyruvate kinase 0.0017 0.004 0.0088
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.2207 0.4836
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0289 0.1309
Onchocerca volvulus 0.0047 0.042 0.0921
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0021 0.0089 0.0196
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0027 0.016 0.0351
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0027 0.016 0.0726
Echinococcus granulosus serine:threonine protein kinase 12 B 0.006 0.0579 0.1269
Brugia malayi serine/threonine-protein kinase 6 0.006 0.0579 0.1269
Giardia lamblia G2/mitotic-specific cyclin B 0.0097 0.1052 0.2238
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Brugia malayi isocitrate dehydrogenase 0.0016 0.0024 0.0052
Entamoeba histolytica cyclin family protein 0.0041 0.0337 0.1526
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0244 0.1105
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0024 0.0107
Entamoeba histolytica hypothetical protein 0.0027 0.016 0.0726
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Plasmodium falciparum polyprenol reductase, putative 0.0027 0.016 0.1055
Loa Loa (eye worm) hypothetical protein 0.0047 0.042 0.0921
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0021 0.0089 0.0196
Trichomonas vaginalis CMGC family protein kinase 0.0134 0.1519 0.3329
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.027 0.1777
Echinococcus granulosus cyclins 0.0041 0.0337 0.0738
Echinococcus multilocularis pyruvate kinase 0.0017 0.004 0.004
Echinococcus granulosus cyclin B3 1 0.0041 0.0337 0.0738
Leishmania major cyclin 0.0097 0.1052 0.4769
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0244 0.2122
Trypanosoma cruzi cdc2-related kinase 1 0.0134 0.1519 0.6884
Echinococcus granulosus synaptic glycoprotein sc2 0.0027 0.016 0.0351
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0027 0.016 0.0726
Echinococcus granulosus cyclin b3 0.0041 0.0337 0.0738
Plasmodium vivax protein kinase Crk2 0.0134 0.1519 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0027 0.016 0.0351
Loa Loa (eye worm) hypothetical protein 0.0035 0.027 0.0591
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.2207 1
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.004 0.0182
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0024 0.0107
Plasmodium falciparum M17 leucyl aminopeptidase 0.0105 0.1149 0.7567
Trichomonas vaginalis cyclin A, putative 0.0097 0.1052 0.2306
Echinococcus granulosus cyclins 0.0041 0.0337 0.0738
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0024 0.0052
Mycobacterium ulcerans hypothetical protein 0.0189 0.2207 1
Echinococcus granulosus cyclin B 0.0097 0.1052 0.2306
Trypanosoma cruzi CYC2-like cyclin, putative 0.0097 0.1052 0.4769
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0244 0.1105
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0027 0.016 0.0351
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.027 0.1777
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0244 0.0534
Brugia malayi Synaptic glycoprotein SC2 0.0027 0.016 0.0351
Echinococcus multilocularis pyruvate kinase 0.0017 0.004 0.004
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.006 0.0579 0.0579
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0027 0.016 0.0726
Trypanosoma cruzi cdc2-related kinase 3 0.0134 0.1519 0.6884
Trichomonas vaginalis cyclins, putative 0.0097 0.1052 0.2306
Trypanosoma cruzi cdc2-related kinase 3 0.0134 0.1519 0.6884
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.042 0.3656
Plasmodium falciparum cyclin 0.0041 0.0337 0.2217
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0289 0.0289
Trypanosoma brucei cdc2-related kinase 1 0.0134 0.1519 0.6884
Schistosoma mansoni leucine aminopeptidase 0.0021 0.0089 0.0196
Trichomonas vaginalis cyclin B3, putative 0.0041 0.0337 0.0738
Brugia malayi AMP-binding enzyme family protein 0.0047 0.042 0.0921
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Loa Loa (eye worm) hypothetical protein 0.0035 0.027 0.0591
Loa Loa (eye worm) hypothetical protein 0.0027 0.016 0.0351
Plasmodium vivax polyprenol reductase, putative 0.0027 0.016 0.1055
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.042 0.1904
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0105 0.1149 1
Brugia malayi Protein kinase domain containing protein 0.0375 0.4563 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0024 0.0024
Echinococcus granulosus leucine aminopeptidase protein 0.0105 0.1149 0.2519
Loa Loa (eye worm) hypothetical protein 0.0035 0.027 0.0591
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0244 0.0534
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.042 0.3656
Toxoplasma gondii aurora kinase 0.006 0.0579 0.2625
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.024 0.209
Trichomonas vaginalis cyclin D, putative 0.0041 0.0337 0.0738
Giardia lamblia Kinase, CMGC CDK 0.0134 0.1519 0.327
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0134 0.1519 0.3329
Trichomonas vaginalis cyclins, putative 0.0097 0.1052 0.2306
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0024 0.0107
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0579 0.1269
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0024 0.0052
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0041 0.0337 0.0337
Giardia lamblia Pyruvate kinase 0.0033 0.0244 0.045
Echinococcus multilocularis cyclin b3 0.0041 0.0337 0.0337
Brugia malayi AMP-binding enzyme family protein 0.0047 0.042 0.0921
Schistosoma mansoni protein kinase 0.006 0.0579 0.1269
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0027 0.016 0.0351
Trichomonas vaginalis cyclin B, putative 0.0097 0.1052 0.2306
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Echinococcus granulosus pyruvate kinase 0.0033 0.0244 0.0534
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0244 0.1105
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0105 0.1149 0.7567
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0244 0.0534
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.027 0.2348
Schistosoma mansoni inositol monophosphatase 0.0037 0.0289 0.0633
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.2207 0.4836
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0089 0.0404
Loa Loa (eye worm) hypothetical protein 0.0057 0.0541 0.1185
Trichomonas vaginalis CMGC family protein kinase 0.0134 0.1519 0.3329
Schistosoma mansoni cyclin B 0.0097 0.1052 0.2306
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0105 0.1149 0.5209
Trichomonas vaginalis cyclin B, putative 0.0097 0.1052 0.2306
Echinococcus multilocularis leucine aminopeptidase protein 0.0105 0.1149 0.1149
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0134 0.1519 0.3329
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0289 0.0633
Loa Loa (eye worm) hypothetical protein 0.0189 0.2207 0.4836
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.042 0.3656
Entamoeba histolytica cyclin, putative 0.0097 0.1052 0.4769
Brugia malayi serine/threonine kinase 12 0.006 0.0579 0.1269
Loa Loa (eye worm) inositol-1 0.0037 0.0289 0.0633
Brugia malayi AMP-binding enzyme family protein 0.0047 0.042 0.0921
Echinococcus multilocularis cyclin dependent kinase 5 0.0134 0.1519 0.1519
Loa Loa (eye worm) hypothetical protein 0.0035 0.027 0.0591
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0244 0.0534
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.2207 0.4836
Loa Loa (eye worm) hypothetical protein 0.0047 0.042 0.0921
Entamoeba histolytica cell division protein kinase 2, putative 0.0134 0.1519 0.6884
Echinococcus multilocularis cyclins 0.0041 0.0337 0.0337
Loa Loa (eye worm) TTK protein kinase 0.0375 0.4563 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0024 0.0155
Echinococcus multilocularis cyclin B3 1 0.0041 0.0337 0.0337
Echinococcus granulosus cyclin dependent kinase 1 0.0134 0.1519 0.3329
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0244 0.1105
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0024 0.0205
Onchocerca volvulus 0.0097 0.1052 0.2306
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0134 0.1519 0.3329
Echinococcus granulosus cyclins 0.0041 0.0337 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0375 0.4563 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.042 0.1904
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0246 0.2137
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.016 0.0351
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0024 0.0052
Loa Loa (eye worm) hypothetical protein 0.0027 0.016 0.0351
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.042 0.1904
Echinococcus granulosus cyclin dependent kinase 0.0134 0.1519 0.3329
Plasmodium falciparum pyruvate kinase 0.0033 0.0244 0.1605
Loa Loa (eye worm) hypothetical protein 0.0047 0.042 0.0921

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.4624 Inhibition of Homo sapiens (human) Steroid 5-alpha-reductase type 2 ChEMBL. No reference
IC50 (binding) = 29 nM Inhibition of Homo sapiens (human) Steroid 5-alpha-reductase type 2 ChEMBL. No reference
IC50 (binding) > 50 uM Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase ChEMBL. 21439822

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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