Detailed information for compound 68189

Basic information

Technical information
  • TDR Targets ID: 68189
  • Name: [(1R)-1-[[(2S)-4-methyl-1-[[(2S)-1-(methylami no)-1-oxo-3-pyrazol-1-ylpropan-2-yl]amino]-1- oxopentan-2-yl]amino]propyl]phosphonic acid
  • MW: 403.414 | Formula: C16H30N5O5P
  • H donors: 5 H acceptors: 6 LogP: -2.86 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H](P(=O)(O)O)N[C@H](C(=O)N[C@H](C(=O)NC)Cn1cccn1)CC(C)C
  • InChi: 1S/C16H30N5O5P/c1-5-14(27(24,25)26)19-12(9-11(2)3)16(23)20-13(15(22)17-4)10-21-8-6-7-18-21/h6-8,11-14,19H,5,9-10H2,1-4H3,(H,17,22)(H,20,23)(H2,24,25,26)/t12-,13-,14+/m0/s1
  • InChiKey: GGSDZOCKHQAWCU-MELADBBJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1R)-1-[[(1S)-3-methyl-1-[[(1S)-2-(methylamino)-2-oxo-1-(pyrazol-1-ylmethyl)ethyl]carbamoyl]butyl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(1S)-3-methyl-1-[[[(1S)-2-(methylamino)-2-oxo-1-(1-pyrazolylmethyl)ethyl]amino]-oxomethyl]butyl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-pyrazol-1-yl-propan-2-yl]amino]-1-oxo-pentan-2-yl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(1S)-1-[[(1S)-2-keto-2-(methylamino)-1-(pyrazol-1-ylmethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(2S)-4-methyl-1-[[(2S)-1-methylamino-1-oxo-3-pyrazol-1-ylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(1S)-3-methyl-1-[[(1S)-2-methylamino-2-oxo-1-(pyrazol-1-ylmethyl)ethyl]carbamoyl]butyl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(1S)-3-methyl-1-[[[(1S)-2-methylamino-2-oxo-1-(1-pyrazolylmethyl)ethyl]amino]-oxomethyl]butyl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(1S)-1-[[(1S)-2-keto-2-methylamino-1-(pyrazol-1-ylmethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]propyl]phosphonic acid
  • [(1R)-1-[[(2S)-4-methyl-1-[[(2S)-1-methylamino-1-oxo-3-pyrazol-1-yl-propan-2-yl]amino]-1-oxo-pentan-2-yl]amino]propyl]phosphonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Echinococcus granulosus geminin 0.0164 0.1873 0.276
Schistosoma mansoni cpg binding protein 0.0057 0.0582 0.0861
Mycobacterium leprae PROBABLE HYDROLASE 0.0032 0.0276 1
Onchocerca volvulus 0.023 0.2678 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0269 0.0259
Echinococcus granulosus acetylcholinesterase 0.0567 0.676 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.002 0.001
Brugia malayi nuclear hormone receptor 0.001 0.0014 0.0005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0014 0.0005
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Onchocerca volvulus 0.0026 0.0207 0.0736
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0014 0.0005
Brugia malayi Pre-SET motif family protein 0.0202 0.2341 0.3454
Treponema pallidum DNA ligase (lig) 0.001 0.001 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.2913 1
Giardia lamblia Replication factor C, subunit 1 0.001 0.001 0.5
Brugia malayi hypothetical protein 0.0096 0.1049 0.1538
Brugia malayi ecdysteroid receptor 0.001 0.0014 0.0005
Plasmodium vivax SET domain protein, putative 0.003 0.0252 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0045 0.0119
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1093 0.1605
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0014 0.0003
Trichomonas vaginalis spcc417.12 protein, putative 0.0096 0.1049 0.3577
Loa Loa (eye worm) hypothetical protein 0.0567 0.676 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0096 0.1049 1
Brugia malayi steroid hormone receptor 0.001 0.0014 0.0005
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0115 0.0156
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.1049 0.1551
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0096 0.1049 0.1538
Schistosoma mansoni DNA ligase IV 0.001 0.001 0.0015
Brugia malayi Carboxylesterase family protein 0.0096 0.1049 0.1538
Schistosoma mansoni hypothetical protein 0.0031 0.0269 0.0398
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0014 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0458 0.0677
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0096 0.1049 1
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.001 0.0015
Onchocerca volvulus 0.0057 0.0582 0.2144
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0014 0.0003
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0032 0.0276 0.0394
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0014 0.0012
Onchocerca volvulus Matrilysin homolog 0.0058 0.0595 0.2193
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0252 0.0242
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0045 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0014 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0252 0.0359
Loa Loa (eye worm) hypothetical protein 0.0026 0.0207 0.0291
Loa Loa (eye worm) hypothetical protein 0.0026 0.0207 0.0291
Loa Loa (eye worm) acetylcholinesterase 1 0.0567 0.676 1
Schistosoma mansoni hypothetical protein 0.0068 0.0712 0.1053
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0014 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0099 0.1093 0.1605
Echinococcus granulosus acetylcholinesterase 0.0567 0.676 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0014 0.0003
Toxoplasma gondii histone lysine methyltransferase SET1 0.011 0.1216 1
Echinococcus granulosus BC026374 protein S09 family 0.0096 0.1049 0.1538
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0096 0.1048 0.1039
Echinococcus multilocularis cpg binding protein 0.0061 0.0622 0.0612
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0014 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Schistosoma mansoni acetylcholinesterase 0.0096 0.1049 0.1551
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0582 0.0847
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0096 0.1049 0.3577
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0014 0.0005
Brugia malayi Matrixin family protein 0.0026 0.0207 0.0291
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1286 0.1891
Brugia malayi hypothetical protein 0.0024 0.0183 0.0256
Schistosoma mansoni thyroid hormone receptor 0.001 0.0014 0.002
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.2913 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0014 0.002
Echinococcus granulosus para nitrobenzyl esterase 0.0096 0.1049 0.1538
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0014 0.0005
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0252 0.2008
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0269 0.0383
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0014 0.0005
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0045 0.0119
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1286 0.1891
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0026 0.0207 0.0306
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0567 0.676 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.2913 1
Brugia malayi Carboxylesterase family protein 0.0567 0.676 1
Echinococcus multilocularis replication factor c subunit 1 0.001 0.001 0.00000034704
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.001 0.0000011942
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0014 0.0005
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0183 1
Onchocerca volvulus Matrilysin homolog 0.0026 0.0207 0.0736
Schistosoma mansoni BC026374 protein (S09 family) 0.0096 0.1049 0.1551
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0014 0.0005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.1049 0.1551
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0014 0.0005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0045 0.0119
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2341 0.3454
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0014 0.0005
Brugia malayi CXXC zinc finger family protein 0.0057 0.0582 0.0847
Echinococcus granulosus GPCR family 2 0.0031 0.0269 0.0383
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0014 0.0005
Onchocerca volvulus 0.0037 0.034 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0014 0.0005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1093 0.1605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0458 0.0677
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0014 0.002
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0073 0.0063
Brugia malayi Matrixin family protein 0.0026 0.0207 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0014 0.0005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0269 0.0383
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0269 0.0383
Loa Loa (eye worm) carboxylesterase 0.0096 0.1049 0.1538
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0014 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0014 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0252 0.0373
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0458 0.0677
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Brugia malayi Carboxylesterase family protein 0.0096 0.1049 0.1538
Mycobacterium ulcerans carboxylesterase, LipT 0.0096 0.1049 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0014 0.0005
Loa Loa (eye worm) matrixin family protein 0.0058 0.0595 0.0867
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.001 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0096 0.1049 0.1039
Loa Loa (eye worm) hypothetical protein 0.0567 0.676 1
Brugia malayi Carboxylesterase family protein 0.0096 0.1049 0.1538
Trichomonas vaginalis helicase, putative 0.0013 0.0045 0.0119
Echinococcus granulosus replication factor c subunit 1 0.001 0.001 0.00000051367
Onchocerca volvulus 0.0096 0.1049 0.3892
Loa Loa (eye worm) matrix metalloproteinase 0.0026 0.0207 0.0291
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0014 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0014 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1093 0.1605
Schistosoma mansoni hypothetical protein 0.0037 0.034 0.0503
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0014 0.0005
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0183 1
Schistosoma mansoni topbp1 0.001 0.001 0.0015
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.198 0.6784
Leishmania major hypothetical protein, conserved 0.0024 0.0183 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0014 0.0005
Toxoplasma gondii ATPase, AAA family protein 0.001 0.001 0.0000028744
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0712 0.1039
Echinococcus granulosus FTZ F1 alpha 0.001 0.0014 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0252 0.0373
Loa Loa (eye worm) hypothetical protein 0.003 0.0252 0.0359
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.2913 0.4301
Schistosoma mansoni cpg binding protein 0.0061 0.0622 0.092
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0014 0.0012
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0014 0.002
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0183 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0252 0.0373
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.1049 0.1551
Schistosoma mansoni gliotactin 0.0096 0.1049 0.1551
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0014 0.0005
Echinococcus multilocularis acetylcholinesterase 0.0567 0.676 0.6756
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.2913 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0058 0.0595 0.2193
Onchocerca volvulus 0.0096 0.1049 0.3892
Loa Loa (eye worm) hypothetical protein 0.0026 0.0207 0.0291
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0045 0.0119
Onchocerca volvulus 0.003 0.0252 0.0908
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0014 0.0005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0123 0.1374 0.2032
Brugia malayi nuclear receptor NHR-88 0.001 0.0014 0.0005
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Brugia malayi Matrixin family protein 0.0064 0.0659 0.0961
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.001 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0014 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0183 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0115 0.0105
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Brugia malayi hypothetical protein 0.0016 0.0078 0.0101
Echinococcus multilocularis neuroligin 0.0096 0.1049 0.1039
Brugia malayi Pre-SET motif family protein 0.003 0.0252 0.0359
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0014 0.0005
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.1873 0.6982
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0269 0.0383
Loa Loa (eye worm) carboxylesterase 0.0096 0.1049 0.1538
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Schistosoma mansoni neuroligin 3 (S09 family) 0.0096 0.1049 0.1551
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0014 0.0003
Brugia malayi Carboxylesterase family protein 0.0567 0.676 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0014 0.0012
Onchocerca volvulus 0.0096 0.1049 0.3892
Chlamydia trachomatis DNA ligase 0.001 0.001 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0096 0.1048 0.1537
Brugia malayi MH2 domain containing protein 0.0115 0.1286 0.1891
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0014 0.0005
Schistosoma mansoni cpg binding protein 0.0061 0.0622 0.092
Loa Loa (eye worm) matrixin family protein 0.0064 0.0659 0.0961
Schistosoma mansoni hypothetical protein 0.0031 0.0269 0.0398
Echinococcus multilocularis carboxylesterase 5A 0.0567 0.676 0.6756
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0115 0.0156
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0183 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0073 0.0093
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0073 0.0093
Loa Loa (eye worm) hypothetical protein 0.0024 0.0183 0.0256
Schistosoma mansoni topbp1 0.001 0.001 0.0015
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0073 0.0108
Onchocerca volvulus 0.0096 0.1049 0.3892
Echinococcus multilocularis para nitrobenzyl esterase 0.0096 0.1049 0.1039
Schistosoma mansoni nuclear hormone receptor 0.001 0.0014 0.002
Echinococcus granulosus neuroligin 0.0096 0.1049 0.1538
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0014 0.002
Schistosoma mansoni hypothetical protein 0.0031 0.0269 0.0398
Loa Loa (eye worm) hypothetical protein 0.0032 0.0276 0.0394
Schistosoma mansoni hypothetical protein 0.0031 0.0269 0.0398
Schistosoma mansoni hypothetical protein 0.0164 0.1873 0.2771
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0014 0.0005
Onchocerca volvulus 0.001 0.0014 0.0012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0458 0.0663
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Loa Loa (eye worm) hypothetical protein 0.0031 0.0269 0.0383
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0014 0.002
Echinococcus multilocularis BC026374 protein (S09 family) 0.0096 0.1049 0.1039
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0014 0.0005
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0183 0.7126
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0224 0.0317
Loa Loa (eye worm) hypothetical protein 0.0068 0.0712 0.1039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0458 0.0663
Echinococcus granulosus cpg binding protein 0.0061 0.0622 0.0906
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0014 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.2913 1
Schistosoma mansoni hypothetical protein 0.0011 0.002 0.003
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0252 0.0242
Brugia malayi Carboxylesterase family protein 0.0096 0.1049 0.1538
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0014 0.0003
Echinococcus multilocularis acetylcholinesterase 0.0567 0.676 0.6756
Trichomonas vaginalis set domain proteins, putative 0.023 0.2678 0.9189
Brugia malayi Matrixin family protein 0.0026 0.0207 0.0291
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0014 0.0003
Echinococcus granulosus carboxylesterase 5A 0.0567 0.676 1
Schistosoma mansoni hypothetical protein 0.0164 0.1873 0.2771
Mycobacterium tuberculosis Carboxylesterase LipT 0.0096 0.1049 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0045 0.0119
Brugia malayi Matrixin family protein 0.0026 0.0207 0.0291
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0014 0.0005
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.002 0.0014
Loa Loa (eye worm) carboxylesterase 0.0567 0.676 1
Brugia malayi Hemopexin family protein 0.0037 0.034 0.0489
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0005
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0014 0.0005
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.2913 0.4301
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0269 0.0383
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0014 0.0005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0045 0.0119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0458 0.0448
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0014 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0252 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0014 0.0005
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.001 0.0000011942
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0014 0.002
Echinococcus multilocularis geminin 0.0164 0.1873 0.1865
Echinococcus multilocularis GPCR, family 2 0.0031 0.0269 0.0259
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0458 0.0663
Mycobacterium ulcerans hydrolase 0.0032 0.0276 0.2561
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0045 0.0119
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.2913 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0269 0.0259
Onchocerca volvulus 0.0096 0.1049 0.3892
Loa Loa (eye worm) hypothetical protein 0.0096 0.1049 0.1538
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.001 0.0000011942
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0458 0.0448
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0183 0.1431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0458 0.0663
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0113 0.0152
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1873 0.6416
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0014 0.002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0014 0.0005
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.198 0.6784
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0045 0.0119
Schistosoma mansoni coup transcription factor 0.001 0.0014 0.002
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0073 0.0063

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.76 uM Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase ChEMBL. 8289190
IC50 (binding) = 0.76 uM Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase ChEMBL. 8289190

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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