Detailed information for compound 1604788

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.884 | Formula: C16H15ClN2O5S2
  • H donors: 2 H acceptors: 4 LogP: 2.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)Cl
  • InChi: 1S/C16H15ClN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
  • InChiKey: UCAJNLLYTGJPBY-HNNXBMFYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 3 (stromelysin 1, progelatinase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV 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 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 3 (stromelysin 1, progelatinase) 477 aa 431 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis peregrin 0.0025 0.0077 0.0063
Echinococcus multilocularis bloom syndrome protein 0.0018 0.0023 0.0009
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0058 0.0087
Brugia malayi Bloom's syndrome protein homolog 0.0018 0.0023 0.0057
Schistosoma mansoni unc-13 (munc13) 0.0068 0.0395 0.0875
Brugia malayi CHE-14 protein 0.0036 0.0159 0.0396
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0017 0.0016 0.0005
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Echinococcus multilocularis neuropeptide receptor A26 0.0409 0.2894 0.2884
Trypanosoma cruzi polo-like protein kinase, putative 0.0081 0.0486 0.1158
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0068 0.0395 0.0735
Entamoeba histolytica tartrate dehydrogenase, putative 0.0068 0.0395 0.7674
Loa Loa (eye worm) matrix metalloproteinase 0.0095 0.0588 0.1433
Echinococcus multilocularis survival motor neuron protein 1 0.0202 0.1375 0.1363
Brugia malayi Matrixin family protein 0.0229 0.1572 0.3912
Mycobacterium leprae PROBABLE HYDROLASE 0.0115 0.074 1
Schistosoma mansoni DNA helicase recq1 0.0018 0.0023 0.002
Mycobacterium ulcerans acyl-CoA synthetase 0.0041 0.0197 0.1233
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0159 0.0929
Trichomonas vaginalis glucosylceramidase, putative 0.0158 0.1053 0.6676
Loa Loa (eye worm) jmjC domain-containing protein 0.0051 0.0271 0.0641
Onchocerca volvulus 0.0134 0.0878 0.5908
Brugia malayi Probable isocitrate dehydrogenase 0.0068 0.0395 0.0984
Loa Loa (eye worm) isocitrate dehydrogenase 0.0563 0.4019 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0207 0.0482
Echinococcus multilocularis sterol regulatory element binding protein 0.0036 0.0159 0.0145
Loa Loa (eye worm) matrixin family protein 0.0229 0.1572 0.389
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0068 0.0395 0.0382
Brugia malayi regulator of G-protein signaling egl-10 0.0016 0.0014 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.0229 0.157 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0197 0.0455
Schistosoma mansoni hypothetical protein 0.0041 0.0196 0.0418
Schistosoma mansoni hypothetical protein 0.0027 0.0096 0.0186
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0036 0.0159 0.0361
Toxoplasma gondii isocitrate dehydrogenase 0.0563 0.4019 1
Schistosoma mansoni survival motor neuron protein 0.0041 0.0196 0.0418
Brugia malayi MH2 domain containing protein 0.0106 0.0669 0.1664
Echinococcus granulosus neuropeptide s receptor 0.0409 0.2894 0.661
Echinococcus granulosus peregrin 0.0025 0.0077 0.0144
Plasmodium falciparum phd finger protein, putative 0.0025 0.0077 0.0135
Trichomonas vaginalis glucosylceramidase, putative 0.0229 0.157 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0395 0.0951
Schistosoma mansoni hypothetical protein 0.015 0.0994 0.2248
Echinococcus multilocularis neuropeptide s receptor 0.0409 0.2894 0.2884
Mycobacterium ulcerans hydrolase 0.0115 0.074 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0068 0.0395 0.0984
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0041 0.0197 0.1233
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Schistosoma mansoni hypothetical protein 0.0025 0.0077 0.0144
Schistosoma mansoni hypothetical protein 0.0059 0.0329 0.0722
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.0191 0.0476
Echinococcus multilocularis protein patched 0.0036 0.0159 0.0145
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0068 0.0395 0.0875
Brugia malayi Matrixin family protein 0.0095 0.0588 0.1464
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0563 0.4019 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0081 0.0486 0.1209
Loa Loa (eye worm) hypothetical protein 0.0084 0.0511 0.124
Plasmodium falciparum acyl-CoA synthetase 0.0031 0.012 0.0243
Entamoeba histolytica hypothetical protein 0.0031 0.012 0.212
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0041 0.0197 0.0227
Onchocerca volvulus Matrix metalloproteinase homolog 0.021 0.1434 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.0191 0.0441
Brugia malayi Bromodomain containing protein 0.0025 0.0077 0.0192
Schistosoma mansoni isocitrate dehydrogenase 0.0068 0.0395 0.0875
Giardia lamblia Kinase, PLK 0.0081 0.0486 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0081 0.0486 0.0472
Onchocerca volvulus 0.0095 0.0588 0.377
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0264
Plasmodium vivax acyl-CoA synthetase, putative 0.0031 0.012 0.0157
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0018 0.0023 0.0009
Schistosoma mansoni hypothetical protein 0.0035 0.0149 0.031
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0077 0.0048
Echinococcus granulosus expressed protein 0.0319 0.2232 0.509
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0041 0.0196 0.0489
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0084 0.0511 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0027 0.0096 0.0186
Brugia malayi AMP-binding enzyme family protein 0.0041 0.0197 0.0489
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0058 0.0087
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0197 0.367
Brugia malayi hypothetical protein 0.0202 0.1375 0.3421
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0023 0.0057
Loa Loa (eye worm) hypothetical protein 0.0027 0.0096 0.0202
Schistosoma mansoni hypothetical protein 0.0027 0.0096 0.0186
Onchocerca volvulus Matrilysin homolog 0.0095 0.0588 0.377
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0041 0.0197 0.1233
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0264
Onchocerca volvulus 0.0041 0.0196 0.0881
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0563 0.4019 0.401
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0115 0.074 0.1615
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0264
Onchocerca volvulus 0.0041 0.0197 0.0882
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0563 0.4019 0.401
Brugia malayi Isocitrate dehydrogenase 0.0563 0.4019 1
Entamoeba histolytica hypothetical protein 0.0031 0.012 0.212
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0156
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0264
Echinococcus multilocularis protein dispatched 1 0.0041 0.0196 0.0182
Trichomonas vaginalis CAMK family protein kinase 0.004 0.0187 0.1111
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0068 0.0395 0.0951
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0081 0.0486 0.1177
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0081 0.0486 0.1082
Trypanosoma brucei polo-like protein kinase 0.0081 0.0486 0.1158
Brugia malayi Latrophilin receptor protein 2 0.0027 0.0096 0.0238
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0191 0.0177
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.0041 0.0197 0.1233
Brugia malayi jmjC domain containing protein 0.0082 0.0492 0.1225
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0264
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0068 0.0395 0.0984
Brugia malayi jmjC domain containing protein 0.003 0.0115 0.0287
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0068 0.0395 0.0984
Entamoeba histolytica hypothetical protein 0.0031 0.012 0.212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0191 0.0406
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0563 0.4019 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0023 0.0057
Brugia malayi Calcitonin receptor-like protein seb-1 0.0087 0.053 0.1319
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0081 0.0486 0.1158
Echinococcus granulosus microtubule associated protein 2 0.0611 0.4371 1
Echinococcus granulosus neuropeptide receptor A26 0.0409 0.2894 0.661
Brugia malayi isocitrate dehydrogenase 0.0563 0.4019 1
Schistosoma mansoni hypothetical protein 0.0035 0.0149 0.031
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.012 0.0242
Schistosoma mansoni hypothetical protein 0.0035 0.0149 0.031
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0031 0.012 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0219 0.051
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Brugia malayi regulator of G-protein signaling rgs-7 0.0016 0.0014 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Onchocerca volvulus Glucosylceramidase homolog 0.015 0.0994 0.6756
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0068 0.0395 0.366
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0058 0.0087
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0563 0.4019 0.9193
Toxoplasma gondii isocitrate dehydrogenase 0.0563 0.4019 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0087 0.053 0.1319
Schistosoma mansoni hypothetical protein 0.0035 0.0149 0.031
Echinococcus multilocularis Niemann Pick C1 protein 0.0084 0.0511 0.0497
Schistosoma mansoni microtubule-associated protein tau 0.0611 0.4371 1
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Leishmania major isocitrate dehydrogenase, putative 0.0068 0.0395 0.0932
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0191 0.0406
Brugia malayi Niemann-Pick C1 protein precursor 0.0084 0.0511 0.1271
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0563 0.4019 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.012 0.0242
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0058 0.0087
Trichomonas vaginalis glucosylceramidase, putative 0.0158 0.1053 0.6676
Brugia malayi hypothetical protein 0.0022 0.0058 0.0144
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.0486 0.1082
Loa Loa (eye worm) hypothetical protein 0.0059 0.0329 0.0785
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0082 0.0492 0.0479
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0197 0.367
Brugia malayi Hemopexin family protein 0.0134 0.0878 0.2186
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0058 0.0087
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Echinococcus granulosus bloom syndrome protein 0.0018 0.0023 0.002
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0041 0.0197 0.0227
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0018 0.0023 0.0021
Loa Loa (eye worm) hypothetical protein 0.0087 0.053 0.1287
Echinococcus multilocularis Niemann Pick C1 protein 0.012 0.0775 0.0762
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0058 0.0087
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0041 0.0197 0.1233
Loa Loa (eye worm) hypothetical protein 0.0095 0.0588 0.1433
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0344 0.2418 0.2407
Schistosoma mansoni hypothetical protein 0.0031 0.012 0.0242
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0068 0.0395 0.0875
Brugia malayi PXA domain containing protein 0.0016 0.0014 0.0036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0027 0.0096 0.0238
Loa Loa (eye worm) hypothetical protein 0.0202 0.1375 0.3398
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0018 0.0023 0.002
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Schistosoma mansoni jumonji/arid domain-containing protein 0.003 0.0115 0.0232
Loa Loa (eye worm) hypothetical protein 0.0041 0.0197 0.0455
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0082 0.0492 0.1097
Trichomonas vaginalis DNA helicase recq, putative 0.0018 0.0023 0.0055
Trichomonas vaginalis glucosylceramidase, putative 0.0229 0.157 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0197 0.1233
Loa Loa (eye worm) MH2 domain-containing protein 0.0106 0.0669 0.1634
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0563 0.4019 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0041 0.0197 0.367
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0115 0.074 0.184
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0563 0.4019 1
Trichomonas vaginalis CAMK family protein kinase 0.004 0.0187 0.1111
Schistosoma mansoni kinase 0.0041 0.0195 0.0415
Loa Loa (eye worm) transcription factor SMAD2 0.0106 0.0669 0.1634
Onchocerca volvulus Serine\/threonine kinase homolog 0.0081 0.0486 0.3014
Schistosoma mansoni hypothetical protein 0.0134 0.0878 0.1983
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0087 0.053 0.1287
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0563 0.4019 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0027 0.0096 0.0202
Echinococcus multilocularis expressed protein 0.0319 0.2232 0.222
Brugia malayi hypothetical protein 0.0031 0.012 0.0298
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0563 0.4019 0.401
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0229 0.157 0.3905
Brugia malayi Matrixin family protein 0.0095 0.0588 0.1464
Mycobacterium ulcerans acyl-CoA synthetase 0.0041 0.0197 0.1233
Trichomonas vaginalis DNA helicase recq1, putative 0.0018 0.0023 0.0055
Toxoplasma gondii PHD-finger domain-containing protein 0.0025 0.0077 0.0135
Brugia malayi Regulator of G protein signaling domain containing protein 0.0016 0.0014 0.0036
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0023 0.00000000014651
Echinococcus granulosus geminin 0.015 0.0994 0.2248
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0191 0.0406
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0027 0.0096 0.0186
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.012 0.0105
Echinococcus multilocularis expressed conserved protein 0.0079 0.0474 0.046
Trichomonas vaginalis glucosylceramidase, putative 0.0229 0.157 1
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0068 0.0395 0.245
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0085 0.052 0.1162
Echinococcus multilocularis beta adrenergic receptor kinase 0.0017 0.0016 0.0002
Onchocerca volvulus Matrilysin homolog 0.021 0.1434 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0191 0.0177
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0109
Echinococcus granulosus beta-adrenergic receptor kinase 0.0017 0.0016 0.0004
Brugia malayi PHD-finger family protein 0.0025 0.0077 0.0192
Echinococcus multilocularis PHD finger protein rhinoceros 0.0025 0.0077 0.0063
Leishmania major hypothetical protein, conserved 0.0022 0.0058 0.0087
Entamoeba histolytica hypothetical protein 0.0031 0.012 0.212
Giardia lamblia PHD finger protein 15 0.0025 0.0077 0.1166
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0068 0.0395 0.0875
Echinococcus multilocularis isocitrate dehydrogenase 0.0563 0.4019 0.401
Echinococcus multilocularis GPCR, family 2 0.0027 0.0096 0.0081
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0016 0.0004
Leishmania major 4-coumarate:coa ligase-like protein 0.0041 0.0197 0.0435
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0016 0.0004
Trichomonas vaginalis glucosylceramidase, putative 0.0229 0.157 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0197 0.0455
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0095 0.0588 0.1318
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0068 0.0395 0.5
Brugia malayi PXA domain containing protein 0.0016 0.0014 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Echinococcus granulosus expressed conserved protein 0.0079 0.0474 0.1054
Echinococcus multilocularis lysine specific demethylase 5A 0.003 0.0115 0.0101
Schistosoma mansoni hypothetical protein 0.015 0.0994 0.2248
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0563 0.4019 0.401
Schistosoma mansoni hypothetical protein 0.0027 0.0096 0.0186
Toxoplasma gondii PHD-finger domain-containing protein 0.0025 0.0077 0.0135
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0027 0.0096 0.0081
Brugia malayi A-kinase anchor protein 10, precursor 0.0016 0.0014 0.0036
Brugia malayi hypothetical protein 0.0016 0.0014 0.0036
Schistosoma mansoni DNA helicase recq5 0.0018 0.0023 0.002
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0077 0.0156
Echinococcus granulosus survival motor neuron protein 1 0.0202 0.1375 0.3123
Echinococcus granulosus Niemann Pick C1 protein 0.012 0.0775 0.1747
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0229 0.157 0.3883
Loa Loa (eye worm) hypothetical protein 0.0115 0.074 0.1811
Echinococcus granulosus Niemann Pick C1 protein 0.0084 0.0511 0.114
Brugia malayi Matrixin family protein 0.0095 0.0588 0.1464
Loa Loa (eye worm) hypothetical protein 0.0095 0.0588 0.1433
Loa Loa (eye worm) RecQ helicase 0.0018 0.0023 0.0021
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0017 0.0016 0.0005
Echinococcus granulosus Protein patched homolog 1 0.0036 0.0159 0.0332
Leishmania major 4-coumarate:coa ligase-like protein 0.0041 0.0197 0.0435
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0563 0.4019 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.01 0.0627 0.1406
Brugia malayi Probable isocitrate dehydrogenase 0.0068 0.0395 0.0984
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0027 0.0096 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0191 0.0406
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0191 0.0406
Trypanosoma cruzi polo-like protein kinase, putative 0.0081 0.0486 0.1158
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0563 0.4019 1
Entamoeba histolytica recQ family helicase, putative 0.0018 0.0023 0.0172
Brugia malayi latrophilin 2 splice variant baaae 0.0059 0.0329 0.0818
Loa Loa (eye worm) hypothetical protein 0.0095 0.0588 0.1433
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0025 0.0077 0.0144
Loa Loa (eye worm) hypothetical protein 0.0036 0.0159 0.0361
Echinococcus multilocularis geminin 0.015 0.0994 0.0981
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0017 0.0016 0.0041
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0344 0.2418 0.5517
Entamoeba histolytica serine/threonine protein kinase, putative 0.0081 0.0486 0.9496
Echinococcus granulosus jumonji domain containing protein 0.0035 0.0148 0.0308
Leishmania major 4-coumarate:coa ligase-like protein 0.0041 0.0197 0.0435
Brugia malayi AMP-binding enzyme family protein 0.0041 0.0197 0.0489
Loa Loa (eye worm) matrixin family protein 0.021 0.1434 0.3544
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Brugia malayi AMP-binding enzyme family protein 0.0041 0.0197 0.0489
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0031 0.012 0.0032
Echinococcus granulosus lysine specific demethylase 5A 0.003 0.0115 0.0232
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0563 0.4019 0.9193
Echinococcus granulosus GPCR family 2 0.0027 0.0096 0.0186
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0016 0.0004
Schistosoma mansoni jumonji domain containing protein 0.0065 0.0369 0.0815
Echinococcus multilocularis jumonji domain containing protein 0.0035 0.0148 0.0134
Schistosoma mansoni patched 1 0.0036 0.0159 0.0332
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0068 0.0395 0.4442
Brugia malayi Matrixin family protein 0.0095 0.0588 0.1464
Mycobacterium ulcerans hypothetical protein 0.0041 0.0197 0.1233
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0115 0.0252
Echinococcus granulosus sterol regulatory element binding protein 0.0036 0.0159 0.0332
Trichomonas vaginalis DNA helicase recq, putative 0.0018 0.0023 0.0055
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0018 0.0023 0.0009
Trichomonas vaginalis glucosylceramidase, putative 0.0229 0.157 1
Trichomonas vaginalis glucosylceramidase, putative 0.015 0.0994 0.6296
Brugia malayi Regulator of G protein signaling domain containing protein 0.0016 0.0014 0.0036
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0068 0.0395 0.0382
Schistosoma mansoni jumonji/arid domain-containing protein 0.003 0.0115 0.0232
Echinococcus multilocularis microtubule associated protein 2 0.0611 0.4371 0.4362
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0018 0.0023 0.002
Schistosoma mansoni hypothetical protein 0.0027 0.0096 0.0186
Trichomonas vaginalis CAMK family protein kinase 0.0081 0.0486 0.3031
Echinococcus granulosus PHD finger protein rhinoceros 0.0025 0.0077 0.0144
Brugia malayi hypothetical protein 0.0016 0.0014 0.0036

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of MMP12 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984
IC50 (binding) Inhibition of MMP8 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984
IC50 (binding) Inhibition of MMP14 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984
IC50 (binding) = 13 nM Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984
IC50 (binding) = 16 nM Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984
IC50 (binding) = 160 nM Inhibition of MMP3 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984
IC50 (binding) = 1000 nM Inhibition of MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry ChEMBL. 22386984

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.

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