Detailed information for compound 518591

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.256 | Formula: C15H12F3NO3
  • H donors: 0 H acceptors: 2 LogP: 1.9 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1C1CCC2O1
  • InChi: 1S/C15H12F3NO3/c16-15(17,18)7-2-1-3-8(6-7)19-13(20)11-9-4-5-10(22-9)12(11)14(19)21/h1-3,6,9-12H,4-5H2/t9?,10?,11-,12+
  • InChiKey: DZOSFVGASVRXRK-CAODYFQJSA-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 androgen receptor Starlite/ChEMBL References

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
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0027 0.0019
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Onchocerca volvulus 0.0026 0.0184 0.1552
Schistosoma mansoni bromodomain containing protein 0.0062 0.0657 0.0722
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0494 1
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0361 0.7831
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0368 0.0366
Brugia malayi hypothetical protein 0.0036 0.031 0.0903
Treponema pallidum 76K protein 0.0014 0.0022 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0494 0.1465
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0055 0.0053
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0027 0.0052
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0168 0.2069 0.2326
Echinococcus granulosus lamin dm0 0.0026 0.0184 0.0182
Echinococcus multilocularis lamin dm0 0.0026 0.0184 0.0182
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.1011
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0015 0.0027 0.0546
Leishmania major cathepsin L-like protease 0.0016 0.005 0.0071
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0301 0.0299
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.03 0.6071
Brugia malayi Cache domain containing protein 0.0154 0.188 0.5816
Echinococcus granulosus voltage dependent calcium channel subunit 0.0347 0.4457 0.4456
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0494 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0184 0.0565
Brugia malayi Zona pellucida-like domain containing protein 0.0014 0.0022 0.0002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0425 0.1316
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0055 0.0053
Onchocerca volvulus 0.0016 0.005 0.0269
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Plasmodium vivax vivapain-2 0.0016 0.005 0.0649
Brugia malayi hypothetical protein 0.004 0.0368 0.1087
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0254 0.3217 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0027 0.0077
Brugia malayi hypothetical protein 0.0036 0.031 0.0903
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0126 0.0124
Brugia malayi PHD-finger family protein 0.0024 0.0157 0.0427
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0015 0.0027 0.0052
Onchocerca volvulus 0.0015 0.0027 0.0052
Leishmania major cysteine peptidase A (CPA) 0.0016 0.005 0.0071
Echinococcus multilocularis cysteine protease 0.0016 0.005 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0015 0.0027 0.0025
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0451 0.41
Schistosoma mansoni zinc finger protein 0.0015 0.0032 0.0012
Entamoeba histolytica hypothetical protein 0.004 0.0368 0.331
Onchocerca volvulus 0.0026 0.0184 0.1552
Onchocerca volvulus 0.005 0.0494 0.4515
Loa Loa (eye worm) CUTiclin family member 0.0014 0.0022 0.006
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Brugia malayi Zona pellucida-like domain containing protein 0.0014 0.0022 0.0002
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.005 0.0047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0055 0.0038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.03 0.6071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0047 0.0455 1
Schistosoma mansoni zinc finger protein 0.0019 0.0088 0.0075
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0425 0.0459
Trypanosoma brucei polo-like protein kinase 0.0093 0.1069 0.3266
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1069 0.3318
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0254 0.3217 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0588 0.1757
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0611 0.0608
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.1531
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1069 0.1067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0425 0.0459
Brugia malayi Cathepsin L-like precursor 0.0016 0.005 0.009
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0027 0.0077
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0368 0.0394
Echinococcus granulosus geminin 0.0185 0.2293 0.2291
Brugia malayi AMP-binding enzyme family protein 0.005 0.0494 0.1482
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1069 0.3279
Brugia malayi AMP-binding enzyme family protein 0.005 0.0494 0.1482
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.1531
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0027 0.0546
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0027 0.0546
Trypanosoma brucei ISWI complex protein 0.0015 0.0032 0.0016
Leishmania major cathepsin L-like protease 0.0016 0.005 0.0071
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0425 0.1265
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0027 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0055 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Brugia malayi von Willebrand Factor 0.0014 0.0022 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0425 0.0423
Giardia lamblia Kinase, PLK 0.0093 0.1069 0.5
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0027 0.0019
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0494 0.4515
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.1011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Schistosoma mansoni lamin 0.0026 0.0184 0.0185
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1069 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.0327 0.6617
Loa Loa (eye worm) hypothetical protein 0.0069 0.0754 0.2339
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1069 0.3266
Loa Loa (eye worm) hypothetical protein 0.0015 0.0027 0.0077
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Loa Loa (eye worm) hypothetical protein 0.004 0.0361 0.1115
Loa Loa (eye worm) hypothetical protein 0.0154 0.188 0.584
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.005 0.0269
Loa Loa (eye worm) hypothetical protein 0.0038 0.0333 0.1028
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.005 0.0649
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0659 0.1982
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0055 0.0038
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.005 0.0047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0301 0.0299
Onchocerca volvulus 0.0016 0.005 0.0269
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.1011
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0494 0.4515
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0494 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.1011
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0254 0.3217 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.005 0.0147
Onchocerca volvulus Cathepsin F homolog 0.0016 0.005 0.0269
Schistosoma mansoni hypothetical protein 0.0185 0.2293 0.2581
Trypanosoma cruzi ISWI complex protein 0.0015 0.0032 0.0016
Onchocerca volvulus 0.0015 0.0027 0.0052
Leishmania major cathepsin L-like protease 0.0062 0.0659 0.1982
Schistosoma mansoni serine-rich repeat protein 0.0179 0.2221 0.2499
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Onchocerca volvulus 0.0016 0.005 0.0269
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0361 0.1063
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.0327 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0659 0.1982
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0494 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0015 0.0027 0.0546
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0254 0.3217 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.005 0.0047
Schistosoma mansoni hypothetical protein 0.0185 0.2293 0.2581
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0184 0.051
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0361 0.1063
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0659 0.1982
Toxoplasma gondii cathepsin CPL 0.0016 0.005 0.0649
Brugia malayi sulfakinin receptor protein 0.0203 0.2538 0.7874
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0015 0.0027 0.0127
Toxoplasma gondii TIM10 family protein, putative 0.0047 0.0455 1
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0047 0.0455 1
Schistosoma mansoni acetyl-CoA synthetase 0.0015 0.0027 0.0006
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0184 0.0565
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.0327 0.7056
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.005 0.0269
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Toxoplasma gondii propionate-CoA ligase 0.0015 0.0027 0.0127
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1069 0.3266
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Plasmodium vivax acetyl-CoA synthetase, putative 0.0015 0.0027 0.0127
Schistosoma mansoni hypothetical protein 0.004 0.0361 0.0385
Treponema pallidum hypothetical protein 0.0014 0.0022 0.5
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0014 0.0022 0.006
Loa Loa (eye worm) hypothetical protein 0.004 0.0363 0.1124
Brugia malayi P38 map kinase family protein 2 0.0254 0.3217 1
Schistosoma mansoni microtubule-associated protein tau 0.0675 0.8824 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.005 0.0047
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0014 0.0022 0.0019
Brugia malayi Cathepsin L-like precursor 0.0016 0.005 0.009
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0347 0.4457 0.4456
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0027 0.0077
Brugia malayi MH2 domain containing protein 0.0133 0.161 0.4971
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.0327 0.7056
Trypanosoma cruzi ISWI complex protein 0.0015 0.0032 0.0016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0425 0.0423
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0494 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.0327 0.6421
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0494 0.1465
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0047 0.0455 0.1357
Loa Loa (eye worm) hypothetical protein 0.0042 0.0388 0.1201
Leishmania major cathepsin L-like protease 0.0062 0.0659 0.1982
Brugia malayi Cathepsin L-like precursor 0.0016 0.005 0.009
Echinococcus multilocularis mitogen activated protein kinase 14 0.0254 0.3217 0.3216
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.161 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1069 0.1067
Loa Loa (eye worm) CUTiclin-Like family member 0.0014 0.0022 0.006
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0494 0.4515
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.005 0.0147
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0494 1
Loa Loa (eye worm) fibroinase 0.0016 0.005 0.0147
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0015 0.0027 0.0019
Plasmodium vivax vivapain-2 0.0016 0.005 0.0649
Loa Loa (eye worm) ctsf protein 0.0016 0.005 0.0147
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0015 0.0027 0.0546
Brugia malayi AMP-binding enzyme family protein 0.005 0.0494 0.1482
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.005 0.0649
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0027 0.0019
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Onchocerca volvulus 0.0016 0.005 0.0269
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0015 0.0027 0.0127
Onchocerca volvulus Cathepsin L homolog 0.0016 0.005 0.0269
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Loa Loa (eye worm) hypothetical protein 0.0016 0.005 0.0147
Echinococcus multilocularis microtubule associated protein 2 0.0675 0.8824 0.8823
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.161 0.5
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0027 0.0546
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0451 0.41
Echinococcus granulosus mitogen activated protein kinase 11 0.0254 0.3217 0.3216
Echinococcus granulosus expressed protein 0.0047 0.0455 0.0453
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Brugia malayi Bromodomain containing protein 0.0073 0.081 0.2468
Echinococcus granulosus zinc finger protein 0.0019 0.0088 0.0086
Schistosoma mansoni hypothetical protein 0.0015 0.0032 0.0012
Echinococcus multilocularis mitogen activated protein kinase 14 0.0254 0.3217 0.3216
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0361 0.1063
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0494 1
Schistosoma mansoni hypothetical protein 0.004 0.0368 0.0394
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0425 0.0423
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0482 0.1427
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0015 0.0027 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.03 0.6071
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0021 0.0058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Entamoeba histolytica cysteine protease, putative 0.0016 0.005 0.0269
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0015 0.0027 0.0546
Onchocerca volvulus 0.0016 0.005 0.0269
Leishmania major cathepsin L-like protease 0.0062 0.0659 0.1982
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Echinococcus multilocularis zinc finger protein 0.0019 0.0088 0.0086
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0055 0.0038
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1069 0.3266
Echinococcus granulosus microtubule associated protein 2 0.0675 0.8824 0.8823
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0333 0.4268 0.4825
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Brugia malayi hypothetical protein 0.0014 0.0022 0.0002
Brugia malayi Cathepsin L-like precursor 0.0016 0.005 0.009
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0494 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0015 0.0027 0.0546
Echinococcus multilocularis cysteine protease 0.0016 0.005 0.0047
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0184 0.0565
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0022 0.0002
Echinococcus multilocularis lamin 0.0026 0.0184 0.0182
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0027 0.0546
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.005 0.0047
Echinococcus multilocularis mitogen activated protein kinase 11 0.0254 0.3217 0.3216
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0494 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0494 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0254 0.3217 0.3216
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0254 0.3217 1
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0494 0.1465
Loa Loa (eye worm) hypothetical protein 0.0026 0.0178 0.0545
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0055 0.0053
Schistosoma mansoni lamin 0.0026 0.0184 0.0185
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.1531
Leishmania major cathepsin L-like protease 0.0016 0.005 0.0071
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.005 0.0649
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Leishmania major hypothetical protein, conserved 0.0015 0.0032 0.0016
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0014 0.0022 0.006
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0126 0.0124
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0015 0.0027 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0425 0.0459
Echinococcus granulosus lamin 0.0026 0.0184 0.0182
Schistosoma mansoni hypothetical protein 0.002 0.0102 0.0091
Brugia malayi von Willebrand factor type A domain containing protein 0.0014 0.0022 0.0002
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0047 0.0455 1
Brugia malayi hypothetical protein 0.0203 0.2538 0.7874
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.004 0.0361 0.7831
Schistosoma mansoni intermediate filament proteins 0.0026 0.0184 0.0185
Echinococcus granulosus intermediate filament protein 0.0026 0.0184 0.0182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.005 0.009
Echinococcus multilocularis expressed protein 0.0047 0.0455 0.0453
Brugia malayi intermediate filament protein 0.0026 0.0184 0.051
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.005 0.0269
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0659 0.1982
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0361 0.0359
Loa Loa (eye worm) hypothetical protein 0.0203 0.2538 0.7886
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0659 0.1982
Echinococcus multilocularis musashi 0.0026 0.0184 0.0182
Onchocerca volvulus 0.0016 0.005 0.0269
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0102 0.0309
Onchocerca volvulus Cathepsin L homolog 0.0016 0.005 0.0269
Leishmania major cathepsin L-like protease 0.0016 0.005 0.0071
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Onchocerca volvulus 0.0016 0.005 0.0269
Echinococcus granulosus collagen alpha 1VII chain 0.0014 0.0022 0.0019
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.1011
Mycobacterium ulcerans hypothetical protein 0.005 0.0494 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0027 0.0127
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.005 0.0032
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0014 0.0022 0.0002
Entamoeba histolytica hypothetical protein 0.004 0.0368 0.331
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0047 0.0455 0.1407
Onchocerca volvulus 0.0015 0.0027 0.0052
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0055 0.0053
Echinococcus granulosus cathepsin l1 0.0016 0.005 0.0047
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0027 0.0019
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0063 0.0189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.005 0.0047
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1069 0.119
Echinococcus granulosus mitogen activated protein kinase 14 0.0254 0.3217 0.3216
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0494 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.005 0.009
Loa Loa (eye worm) hypothetical protein 0.0014 0.0022 0.006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0368 0.0366
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0015 0.0027 0.0025
Schistosoma mansoni hypothetical protein 0.0179 0.2221 0.2499
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0027 0.0052
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0611 0.0608
Entamoeba histolytica hypothetical protein 0.004 0.0368 0.331
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0425 0.0423
Loa Loa (eye worm) hypothetical protein 0.0017 0.0055 0.0164
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0126 0.0119
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1069 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0764 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.03 0.6071
Leishmania major cathepsin L-like protease 0.0016 0.005 0.0071
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.005 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1069 1
Schistosoma mansoni kinase 0.0048 0.0467 0.0506
Echinococcus multilocularis geminin 0.0185 0.2293 0.2291
Entamoeba histolytica hypothetical protein 0.004 0.0368 0.331
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.005 0.0269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.005 0.0269
Onchocerca volvulus 0.0015 0.0027 0.0052
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0047 0.0455 0.0492
Loa Loa (eye worm) oxidoreductase 0.0015 0.0027 0.0077
Loa Loa (eye worm) cysteine protease 0.0016 0.005 0.0147
Brugia malayi Bromodomain containing protein 0.0037 0.0332 0.0972
Brugia malayi Cathepsin L-like precursor 0.0016 0.005 0.009
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.005 0.0071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.005 0.0269
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0361 0.7831

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 11.5 uM Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay ChEMBL. 18291644
IC50 (functional) = 11.5 uM Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay ChEMBL. 18291644
Ki (binding) = 4.1 uM Displacement of [3H]DHT from human androgen receptor in MDA453 cells ChEMBL. 18291644
Ki (binding) = 4.1 uM Displacement of [3H]DHT from human androgen receptor in MDA453 cells ChEMBL. 18291644

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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