Detailed information for compound 1699080

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1915.14 | Formula: C79H119N25O25S3
  • H donors: 27 H acceptors: 25 LogP: -9.8 Rotable bonds: 30
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H]1NC(=O)[C@H](CSCc2cc3CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)Cc1ccccc1)CCCNC(=N)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CSCc(c2)c3)C(=O)NCC(=O)N)C)CO)CCC(=O)O)NC(=O)[C@@H](N)C
  • InChi: 1S/C79H119N25O25S3/c1-37(2)61-76(128)99-52(30-107)72(124)93-46(16-17-59(110)111)67(119)97-50(28-105)71(123)90-39(4)63(115)101-53(64(116)89-27-58(82)109)34-130-31-41-21-42-23-43(22-41)33-132-36-55(77(129)104-20-10-15-56(104)75(127)103-61)102-69(121)48(25-57(81)108)95-66(118)45(14-9-19-88-79(85)86)91-68(120)47(24-40-11-6-5-7-12-40)94-65(117)44(13-8-18-87-78(83)84)92-70(122)49(26-60(112)113)96-73(125)51(29-106)98-74(126)54(35-131-32-42)100-62(114)38(3)80/h5-7,11-12,21-23,37-39,44-56,61,105-107H,8-10,13-20,24-36,80H2,1-4H3,(H2,81,108)(H2,82,109)(H,89,116)(H,90,123)(H,91,120)(H,92,122)(H,93,124)(H,94,117)(H,95,118)(H,96,125)(H,97,119)(H,98,126)(H,99,128)(H,100,114)(H,101,115)(H,102,121)(H,103,127)(H,110,111)(H,112,113)(H4,83,84,87)(H4,85,86,88)/t38-,39+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-/m0/s1
  • InChiKey: RHHZMYMQQCABEV-AWASFUGHSA-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 kallikrein B, plasma (Fletcher factor) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
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
Trichomonas vaginalis aldo/keto reductase, putative 0.0398 0.5865 1
Brugia malayi RNA binding protein 0.0065 0.0876 0.1445
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0138
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0147 0.0138
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Trichomonas vaginalis aldo-keto reductase, putative 0.0115 0.1631 0.2781
Brugia malayi NADH-dependent xylose reductase 0.0115 0.1631 0.274
Schistosoma mansoni survival motor neuron protein 0.0049 0.0644 0.0635
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0248 0.0366
Echinococcus granulosus voltage gated potassium channel subunit 0.0115 0.1631 0.1623
Onchocerca volvulus 0.0398 0.5865 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0398 0.5865 1
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0248 0.0142
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Entamoeba histolytica hypothetical protein 0.0035 0.0431 0.0464
Schistosoma mansoni hypothetical protein 0.0035 0.0427 0.0418
Onchocerca volvulus 0.0398 0.5865 1
Schistosoma mansoni hypothetical protein 0.0035 0.0431 0.0422
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0035 0.0026
Trichomonas vaginalis aldo-keto reductase, putative 0.0115 0.1631 0.2781
Toxoplasma gondii microneme protein, putative 0.0023 0.0248 0.0142
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0876 0.0867
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0115 0.1631 0.257
Schistosoma mansoni potassium channel beta 0.0115 0.1631 0.1623
Entamoeba histolytica alcohol dehydrogenase, putative 0.0115 0.1631 0.257
Brugia malayi TAR-binding protein 0.0065 0.0876 0.1445
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0115 0.1631 0.2781
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Entamoeba histolytica aldose reductase, putative 0.0398 0.5865 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Schistosoma mansoni ap endonuclease 0.0018 0.0167 0.0158
Plasmodium vivax aldehyde reductase, putative 0.0115 0.1631 1
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0248 0.0142
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0398 0.5865 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0115 0.1631 0.257
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Onchocerca volvulus 0.0398 0.5865 1
Mycobacterium tuberculosis Conserved protein 0.0115 0.1631 0.257
Onchocerca volvulus 0.0398 0.5865 1
Mycobacterium ulcerans oxidoreductase 0.0398 0.5865 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0398 0.5865 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0398 0.5865 1
Toxoplasma gondii aldo-keto reductase 0.0115 0.1631 0.257
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0398 0.5865 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0167 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0398 0.5865 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0793 0.0785
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0325 0.0498
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0431 0.0422
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0192
Schistosoma mansoni cpg binding protein 0.003 0.0349 0.034
Echinococcus multilocularis aldo keto reductase 0.0398 0.5865 0.5861
Echinococcus multilocularis aldo keto reductase 0.0398 0.5865 0.5861
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Onchocerca volvulus 0.0398 0.5865 1
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0138
Trypanosoma cruzi aldo/keto reductase, putative 0.0115 0.1631 0.257
Echinococcus granulosus aldehyde reductase 0.0283 0.4138 0.4133
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0147 0.0192
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0023 0.0248 0.0142
Loa Loa (eye worm) oxidoreductase 0.0398 0.5865 1
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0248 0.0366
Schistosoma mansoni hypothetical protein 0.0166 0.2384 0.2377
Trypanosoma brucei prostaglandin f synthase 0.0398 0.5865 1
Entamoeba histolytica aldose reductase, putative 0.0398 0.5865 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0793 0.1099
Trichomonas vaginalis aldo/keto reductase, putative 0.0398 0.5865 1
Toxoplasma gondii PAN domain-containing protein 0.0356 0.5236 0.8897
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0793 0.0785
Onchocerca volvulus 0.0115 0.1631 0.2463
Mycobacterium leprae Conserved hypothetical protein 0.0283 0.4138 0.5922
Entamoeba histolytica hypothetical protein 0.0035 0.0431 0.0464
Echinococcus multilocularis voltage gated potassium channel subunit 0.0115 0.1631 0.1623
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Leishmania major aldo-keto reductase-like protein 0.0398 0.5865 1
Entamoeba histolytica hypothetical protein 0.0035 0.0431 0.0464
Entamoeba histolytica hypothetical protein 0.0035 0.0431 0.0464
Loa Loa (eye worm) hypothetical protein 0.0051 0.0669 0.1088
Plasmodium falciparum aldo-keto reductase, putative 0.0115 0.1631 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0644 0.1048
Echinococcus multilocularis geminin 0.0166 0.2384 0.2377
Toxoplasma gondii hypothetical protein 0.0023 0.0248 0.0142
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.3529 0.3523
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0167 0.0285
Echinococcus multilocularis dnaJ subfamily B 0.04 0.5888 0.5885
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Schistosoma mansoni cpg binding protein 0.0028 0.0325 0.0316
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0115 0.1631 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0167 0.0158
Toxoplasma gondii microneme protein MIC17C 0.0023 0.0248 0.0142
Echinococcus multilocularis aldehyde reductase 0.0283 0.4138 0.4133
Brugia malayi hypothetical protein 0.0242 0.3529 0.5995
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0147 0.0138
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0427 0.0676
Loa Loa (eye worm) hypothetical protein 0.0035 0.0427 0.0673
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Echinococcus granulosus dnaJ subfamily B 0.04 0.5888 0.5885
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0796 0.0788
Loa Loa (eye worm) hypothetical protein 0.0398 0.5865 1
Toxoplasma gondii aldose reductase, putative 0.0398 0.5865 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0138
Loa Loa (eye worm) oxidoreductase 0.0398 0.5865 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0167 0.023
Toxoplasma gondii microneme protein MIC17A 0.0023 0.0248 0.0142
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Mycobacterium ulcerans hypothetical protein 0.0115 0.1631 0.257
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0876 0.0867
Echinococcus granulosus cpg binding protein 0.003 0.0349 0.034
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0248 0.0142
Leishmania major prostaglandin f synthase, putative 0.0398 0.5865 1
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0115 0.1631 0.1623
Echinococcus multilocularis aldo keto reductase 0.0398 0.5865 0.5861
Echinococcus granulosus GPCR family 2 0.0016 0.0147 0.0138
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0115 0.1631 0.2738
Toxoplasma gondii microneme protein MIC17B 0.0023 0.0248 0.0142
Schistosoma mansoni hypothetical protein 0.0166 0.2384 0.2377
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0876 0.1442
Trypanosoma cruzi aldo-keto reductase 0.0398 0.5865 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0876 0.1442
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Echinococcus granulosus aldo keto reductase 0.0398 0.5865 0.5861
Brugia malayi CXXC zinc finger family protein 0.0028 0.0325 0.05
Echinococcus granulosus aldo keto reductase 0.0398 0.5865 0.5861
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0669 0.1088
Trichomonas vaginalis aldo/keto reductase, putative 0.0398 0.5865 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0167 0.0285
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0167 0.5
Schistosoma mansoni hypothetical protein 0.04 0.5888 0.5885
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0398 0.5865 1
Giardia lamblia Aldose reductase 0.0398 0.5865 1
Schistosoma mansoni ap endonuclease 0.0018 0.0167 0.0158
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0876 0.0867
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0398 0.5865 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0876 0.1445
Echinococcus granulosus tar DNA binding protein 0.0065 0.0876 0.0867
Trypanosoma brucei aldo/keto reductase, putative 0.0115 0.1631 0.257
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0248 0.0142
Entamoeba histolytica aldose reductase, putative 0.0398 0.5865 1
Trypanosoma brucei aldo-keto reductase, putative 0.0398 0.5865 1
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0167 0.0158
Onchocerca volvulus 0.0049 0.0644 0.0705
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0669 0.109
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Trypanosoma cruzi aldo/keto reductase, putative 0.0398 0.5865 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0793 0.0785
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0147 0.0138
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0147 0.0195
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0876 0.0867
Plasmodium falciparum aldehyde reductase, putative 0.0115 0.1631 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0115 0.1631 0.257
Schistosoma mansoni aldo-keto reductase 0.0398 0.5865 0.5861
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0876 0.0867
Echinococcus granulosus hypothetical protein 0.0398 0.5865 0.5861
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0115 0.1631 0.257
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0431 0.0422
Loa Loa (eye worm) oxidoreductase 0.0398 0.5865 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0793 0.0785
Loa Loa (eye worm) hypothetical protein 0.0242 0.3529 0.5994
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0398 0.5865 1
Giardia lamblia Aldose reductase 0.0398 0.5865 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Echinococcus granulosus geminin 0.0166 0.2384 0.2377
Schistosoma mansoni cpg binding protein 0.003 0.0349 0.034
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0793 0.1099
Schistosoma mansoni hypothetical protein 0.0049 0.0644 0.0635
Toxoplasma gondii hypothetical protein 0.0023 0.0248 0.0142
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Trichomonas vaginalis aldo-keto reductase, putative 0.0115 0.1631 0.2781
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0793 0.1099
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Toxoplasma gondii PAN domain-containing protein 0.0356 0.5236 0.8897
Loa Loa (eye worm) RNA binding protein 0.0065 0.0876 0.1442
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0167 0.0227
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0793 0.1099
Echinococcus granulosus aldo keto reductase 0.0398 0.5865 0.5861
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0248 0.0366
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0147 0.0195
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.1631 0.2781
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0398 0.5865 1
Toxoplasma gondii microneme protein MIC4 0.0023 0.0248 0.0142
Toxoplasma gondii PAN/Apple domain-containing protein 0.0023 0.0248 0.0142
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.0366
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0398 0.5865 0.5861
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0669 0.109
Echinococcus multilocularis GPCR, family 2 0.0016 0.0147 0.0138
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0115 0.1631 0.274
Toxoplasma gondii subtilisin SUB12 0.0023 0.0248 0.0142
Onchocerca volvulus 0.0028 0.0325 0.0137
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Echinococcus multilocularis cpg binding protein 0.003 0.0349 0.034
Brugia malayi hypothetical protein 0.0035 0.0431 0.0682
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0876 0.0867
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0398 0.5865 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0793 0.1099
Echinococcus multilocularis aldo keto reductase 0.0398 0.5865 0.5861
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0431 0.0422
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0248 0.0366
Brugia malayi PAN domain containing protein 0.0023 0.0248 0.0368
Loa Loa (eye worm) oxidoreductase 0.0398 0.5865 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0147 0.0138
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0248 0.0366
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0701 0.0937
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.3529 0.3523
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0398 0.5865 0.5861
Trichomonas vaginalis aldo-keto reductase, putative 0.0398 0.5865 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0035 0.0026
Onchocerca volvulus 0.0398 0.5865 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0793 0.1099
Schistosoma mansoni aldo-keto reductase 0.0398 0.5865 0.5861
Schistosoma mansoni pol-related 0.0398 0.5865 0.5861
Loa Loa (eye worm) oxidoreductase 0.0398 0.5865 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 nM Inhibition of human plasma kallikrein using Z-Phe-Arg-AMC substrate after 30 mins by spectrophotometric assay ChEMBL. 19483697

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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