Detailed information for compound 254429

Basic information

Technical information
  • TDR Targets ID: 254429
  • Name: 1-N,1-N-bis(2-chloroethyl)-2-fluorobenzene-1, 4-diamine
  • MW: 251.128 | Formula: C10H13Cl2FN2
  • H donors: 1 H acceptors: 0 LogP: 2.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(c1ccc(cc1F)N)CCCl
  • InChi: 1S/C10H13Cl2FN2/c11-3-5-15(6-4-12)10-2-1-8(14)7-9(10)13/h1-2,7H,3-6,14H2
  • InChiKey: XHYUQPQZUYELPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N1,N1-bis(2-chloroethyl)-2-fluoro-benzene-1,4-diamine
  • N1,N1-bis(2-chloroethyl)-2-fluorobenzene-1,4-diamine
  • (4-amino-2-fluoro-phenyl)-bis(2-chloroethyl)amine
  • N,N-bis(2-chloroethyl)-2-fluorobenzene-1,4-diamine
  • N,N-bis(2-chloroethyl)-2-fluoro-benzene-1,4-diamine

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
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.031 0.7112 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0555 0.072
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1245 0.1696
Schistosoma mansoni hypothetical protein 0.004 0.0612 0.0801
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0218 0.0242
Echinococcus multilocularis lamin dm0 0.0027 0.0305 0.0366
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.008 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.008 0.0112
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.0533
Onchocerca volvulus 0.0111 0.2309 0.2247
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0555 0.072
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.008 0.0112
Mycobacterium tuberculosis Conserved protein 0.0036 0.0525 0.0919
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.008 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.008 0.0112
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0525 0.0677
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.0533
Trypanosoma brucei AMP deaminase, putative 0.031 0.7112 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0525 0.0919
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.008 0.0047
Echinococcus granulosus adenylate cyclase 9 0.0155 0.3384 0.4723
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.1672 0.2301
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0612 0.0801
Leishmania major AMP deaminase, putative 0.031 0.7112 1
Trypanosoma brucei AMP deaminase, putative 0.031 0.7112 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0719 0.0951
Onchocerca volvulus AMP deaminase 2 homolog 0.031 0.7112 0.7088
Echinococcus granulosus tar DNA binding protein 0.0066 0.1245 0.1696
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Entamoeba histolytica hypothetical protein 0.0038 0.0555 0.049
Echinococcus multilocularis AMP deaminase 2 0.031 0.7112 1
Schistosoma mansoni adenosine deaminase 0.0111 0.2309 0.3203
Echinococcus multilocularis adenosine deaminase 0.0111 0.2309 0.3203
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0612 0.0861
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0525 0.0677
Schistosoma mansoni hypothetical protein 0.0038 0.0555 0.072
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.031 0.7112 1
Onchocerca volvulus 0.0027 0.0305 0.0227
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.008 0.0112
Plasmodium falciparum adenosine deaminase 0.0111 0.2309 0.3203
Loa Loa (eye worm) adenylyl cyclase 3 0.0155 0.3384 0.3438
Brugia malayi hypothetical protein 0.0036 0.0519 0.0729
Loa Loa (eye worm) hypothetical protein 0.0111 0.2309 0.2346
Loa Loa (eye worm) AMP deaminase 0.031 0.7112 0.7226
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.008 0.0047
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.004 0.0612 0.0801
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0525 0.0919
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.008 0.0047
Trypanosoma cruzi AMP deaminase, putative 0.031 0.7112 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0525 0.0533
Echinococcus multilocularis lamin 0.0027 0.0305 0.0366
Loa Loa (eye worm) hypothetical protein 0.0027 0.0293 0.0298
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.1245 0.1751
Brugia malayi hypothetical protein 0.0038 0.0555 0.0781
Loa Loa (eye worm) hypothetical protein 0.0111 0.2309 0.2346
Trichomonas vaginalis glutaminase, putative 0.0264 0.6004 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.008 0.0112
Trichomonas vaginalis adenosine deaminase, putative 0.0111 0.2309 0.3257
Entamoeba histolytica AMP deaminase, putative 0.031 0.7112 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0305 0.031
Schistosoma mansoni AMP deaminase 0.031 0.7112 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0719 0.0951
Entamoeba histolytica adenosine deaminase, putative 0.0111 0.2309 0.3034
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.008 0.0047
Brugia malayi RNA binding protein 0.0066 0.1245 0.1751
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0218 0.0329
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.008 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1245 0.1696
Brugia malayi beta-lactamase family protein 0.0036 0.0525 0.0738
Loa Loa (eye worm) hypothetical protein 0.004 0.0612 0.0622
Onchocerca volvulus 0.0149 0.3225 0.317
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.008 0.0112
Loa Loa (eye worm) hypothetical protein 0.0084 0.1672 0.1699
Loa Loa (eye worm) hypothetical protein 0.02 0.4451 0.4523
Onchocerca volvulus Adenosine deaminase homolog 0.0111 0.2309 0.2247
Brugia malayi hypothetical protein 0.0036 0.0519 0.0729
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0218 0.5
Trypanosoma cruzi AMP deaminase, putative 0.031 0.7112 1
Schistosoma mansoni glutaminase 0.0264 0.6004 0.8432
Loa Loa (eye worm) glutaminase 2 0.0264 0.6004 0.6101
Brugia malayi TAR-binding protein 0.0066 0.1245 0.1751
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1245 0.1696
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.008 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.008 0.0112
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.008 0.0047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0719 0.101
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.008 0.0112
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.008 0.0047
Onchocerca volvulus 0.0036 0.0525 0.0449
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.008 0.0047
Leishmania major hypothetical protein, conserved 0.0036 0.0525 0.0677
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.008 0.0047
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.008 0.0047
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0218 0.0242
Onchocerca volvulus 0.0036 0.0525 0.0449
Entamoeba histolytica hypothetical protein 0.0038 0.0555 0.049
Mycobacterium ulcerans lipase LipD 0.0036 0.0525 0.0531
Schistosoma mansoni hypothetical protein 0.0177 0.3919 0.5481
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0305 0.031
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0612 0.0801
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.008 0.0047
Plasmodium vivax adenosine/AMP deaminase, putative 0.031 0.7112 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.3384 0.3438
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.031 0.7112 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0719 0.0951
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.008 0.0047
Plasmodium vivax adenosine deaminase, putative 0.0111 0.2309 0.3203
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0218 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0525 0.0738
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1245 0.1696
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.031 0.7112 1
Loa Loa (eye worm) hypothetical protein 0.0424 0.9841 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0111 0.2309 0.3203
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0525 0.0919
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.008 0.0112
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0555 0.072
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0525 0.0919
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0525 0.1469
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0525 0.0919
Echinococcus granulosus adenosine deaminase 0.0111 0.2309 0.3203
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.008 0.0047
Brugia malayi beta-lactamase 0.0036 0.0525 0.0738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.008 0.0081
Mycobacterium leprae Probable lipase LipE 0.0036 0.0525 0.1469
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.0533
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0525 0.0919
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.008 0.0081
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0612 0.0861
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0111 0.2309 1
Brugia malayi nuclear hormone receptor 0.0018 0.008 0.0112
Brugia malayi Adenosine/AMP deaminase family protein 0.0111 0.2309 0.3247
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.008 0.0047
Brugia malayi nuclear receptor NHR-88 0.0018 0.008 0.0112
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0047 0.0065
Loa Loa (eye worm) TAR-binding protein 0.0066 0.1245 0.1265
Echinococcus multilocularis adenylate cyclase 9 0.0155 0.3384 0.4723
Entamoeba histolytica hypothetical protein 0.0038 0.0555 0.049
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.008 0.0112
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.008 0.0047
Schistosoma mansoni adenosine deaminase-related 0.0111 0.2309 0.3203
Echinococcus granulosus geminin 0.0177 0.3919 0.5481
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0218 0.0242
Schistosoma mansoni nuclear hormone receptor 0.0018 0.008 0.0047
Schistosoma mansoni lamin 0.0027 0.0305 0.0366
Onchocerca volvulus 0.0027 0.0305 0.0227
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.008 0.0047
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0525 0.0677
Brugia malayi Adenylyl cyclase protein 0.0155 0.3384 0.4758
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.008 0.0047
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Brugia malayi follicle stimulating hormone receptor 0.0245 0.5542 0.7793
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0218 0.0242
Trypanosoma cruzi AMP deaminase, putative 0.031 0.7112 1
Entamoeba histolytica AMP deaminase, putative 0.031 0.7112 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.008 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0719 0.0951
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0525 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.008 0.0112
Echinococcus granulosus intermediate filament protein 0.0027 0.0305 0.0366
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0525 0.0677
Brugia malayi adenosine monophosphate deaminase 0.031 0.7112 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.008 0.0047
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.008 0.0081
Brugia malayi intermediate filament protein 0.0027 0.0305 0.0429
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.0533
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.008 0.0047
Loa Loa (eye worm) RNA binding protein 0.0066 0.1245 0.1265
Toxoplasma gondii ABC1 family protein 0.0036 0.0525 0.0677
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0612 0.0801
Mycobacterium ulcerans hypothetical protein 0.0036 0.0525 0.0531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0719 0.0951
Echinococcus granulosus lamin 0.0027 0.0305 0.0366
Echinococcus granulosus FTZ F1 alpha 0.0018 0.008 0.0047
Schistosoma mansoni lamin 0.0027 0.0305 0.0366
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.1672 0.2301
Brugia malayi glutaminase DH11.1 0.0264 0.6004 0.8442
Treponema pallidum adenosine deaminase 0.0111 0.2309 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0525 0.0677
Schistosoma mansoni intermediate filament proteins 0.0027 0.0305 0.0366
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.008 0.0081
Entamoeba histolytica hypothetical protein 0.0038 0.0555 0.049
Mycobacterium tuberculosis Conserved protein 0.0036 0.0525 0.0919
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0305 0.0429
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.1672 0.2351
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0612 0.0861
Schistosoma mansoni hypothetical protein 0.0177 0.3919 0.5481
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.0533
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.008 0.0047
Trypanosoma cruzi AMP deaminase, putative 0.031 0.7112 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.008 0.0047
Leishmania major hypothetical protein, conserved 0.0111 0.2309 0.3203
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.008 0.0112
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.008 0.0047
Onchocerca volvulus 0.0084 0.1672 0.1605
Loa Loa (eye worm) glutaminase 0.0264 0.6004 0.6101
Brugia malayi isocitrate dehydrogenase 0.0017 0.0047 0.0065
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0719 0.073
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.5542 0.5632
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.1672 0.2301
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0218 0.0242
Trichomonas vaginalis adenosine deaminase, putative 0.0111 0.2309 0.3257
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0081
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0719 0.0951
Trypanosoma cruzi AMP deaminase 2, putative 0.0111 0.2309 0.3203
Schistosoma mansoni coup transcription factor 0.0018 0.008 0.0047
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.031 0.7112 1
Leishmania major adenine aminohydrolase 0.0111 0.2309 0.3203
Trypanosoma cruzi AMP deaminase, putative 0.031 0.7112 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0525 0.0533
Brugia malayi steroid hormone receptor 0.0018 0.008 0.0112
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.008 0.0112
Brugia malayi ecdysteroid receptor 0.0018 0.008 0.0112
Mycobacterium ulcerans adenosine deaminase 0.0111 0.2309 0.3615
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.0155 0.3384 0.3331
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.008 0.0112
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0218 0.0242
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0525 0.0677
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0525 0.0531
Echinococcus multilocularis musashi 0.0027 0.0305 0.0366
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.008 0.0112
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0525 0.0919
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.5248 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0525 0.0531
Echinococcus granulosus lamin dm0 0.0027 0.0305 0.0366
Plasmodium falciparum AMP deaminase, putative 0.031 0.7112 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.008 0.0047
Echinococcus multilocularis geminin 0.0177 0.3919 0.5481
Onchocerca volvulus 0.0036 0.0525 0.0449
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.008 0.0047
Mycobacterium ulcerans glutaminase 0.0264 0.6004 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.008 0.0047
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0525 0.0677
Schistosoma mansoni thyroid hormone receptor 0.0018 0.008 0.0047
Toxoplasma gondii AMP deaminase 0.031 0.7112 1
Trypanosoma brucei AMP deaminase, putative 0.031 0.7112 1
Schistosoma mansoni thyroid hormone receptor 0.0018 0.008 0.0047
Entamoeba histolytica adenosine deaminase, putative 0.0111 0.2309 0.3034
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0111 0.2309 0.435
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.1245 0.1265
Echinococcus multilocularis tar DNA binding protein 0.0066 0.1245 0.1696
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1245 0.1696
Loa Loa (eye worm) hypothetical protein 0.0036 0.0525 0.0533
Mycobacterium tuberculosis Conserved protein 0.0036 0.0525 0.0919
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0719 0.0951
Onchocerca volvulus 0.0155 0.3384 0.3331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.008 0.0081
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0525 0.0738
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.031 0.7112 1
Echinococcus granulosus AMP deaminase 2 0.031 0.7112 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0305 0.031
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0111 0.2309 0.3203
Mycobacterium ulcerans beta-lactamase 0.0036 0.0525 0.0531

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.56 uM Cytotoxicity against colorectal tumor cell line LoVo 1 hour after incubation. ChEMBL. 8544182
IC50 (functional) = 2.56 uM Cytotoxicity against colorectal tumor cell line LoVo 1 hour after incubation. ChEMBL. 8544182
Ratio (functional) > 195 Ratio of IC50 (prodrug)/IC50 (drug) ChEMBL. 8544182
T1/2 (ADMET) = 2.2 min Half life of the compound was reported ChEMBL. 8544182

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 8544182

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.