Detailed information for compound 1765630

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 635.724 | Formula: C39H62BNO5
  • H donors: 2 H acceptors: 3 LogP: 8.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)[C@@H](NC(=O)[C@]12CC[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CC=C(C3(C)C)B3OC(C(O3)(C)C)(C)C)[C@@H]2CC(CC1)(C)C)C)C
  • InChi: 1S/C39H62BNO5/c1-24(30(42)43)41-31(44)39-21-19-32(2,3)23-26(39)25-13-14-28-36(10)17-16-29(40-45-34(6,7)35(8,9)46-40)33(4,5)27(36)15-18-38(28,12)37(25,11)20-22-39/h13,16,24,26-28H,14-15,17-23H2,1-12H3,(H,41,44)(H,42,43)/t24-,26-,27-,28+,36-,37+,38+,39-/m0/s1
  • InChiKey: JNTYEYWDQJWPAX-SFISAJTGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0543 0.0543
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0007 0.0071 0.5
Brugia malayi hypothetical protein 0.002 0.1108 0.3417
Leishmania major cytochrome p450-like protein 0.0007 0.0071 0.0071
Schistosoma mansoni DNA helicase recq1 0.001 0.0304 0.0756
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3242 0.8068
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0304 0.0756
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.079 0.079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Echinococcus granulosus RUN 0.002 0.1108 0.2757
Loa Loa (eye worm) cysteine protease 0.0033 0.2249 0.2393
Schistosoma mansoni lipoxygenase 0.0055 0.4018 1
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1337 0.5946
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0806 0.3585
Leishmania major cathepsin L-like protease 0.0033 0.2249 0.2249
Trypanosoma cruzi cysteine peptidase, putative 0.0127 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Plasmodium vivax unspecified product 0.0011 0.0403 0.1791
Onchocerca volvulus Cathepsin F homolog 0.0033 0.2249 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0304 0.0937
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0912 0.4054
Schistosoma mansoni rab6-interacting 0.002 0.1108 0.2757
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.079 0.079
Toxoplasma gondii cathepsin CPL 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Leishmania major cathepsin L-like protease 0.0033 0.2249 0.2249
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0007 0.0071 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.146 0.649
Loa Loa (eye worm) hypothetical protein 0.0011 0.0403 0.0429
Onchocerca volvulus 0.0033 0.2249 1
Brugia malayi Doublecortin family protein 0.002 0.1108 0.3417
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0543 0.2413
Plasmodium falciparum cysteine proteinase falcipain 3 0.0033 0.2249 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.1337 0.1423
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0912 0.0912
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Onchocerca volvulus 0.0033 0.2249 1
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1337 0.3328
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Echinococcus granulosus cytochrome P450 2K1 0.0007 0.0071 0.0178
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0007 0.0071 0.0071
Schistosoma mansoni DNA helicase recq5 0.001 0.0304 0.0756
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0007 0.0071 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0304 0.0937
Brugia malayi Cathepsin L-like precursor 0.0033 0.2249 0.6937
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.2249 0.5597
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.1108 0.2757
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Echinococcus granulosus cathepsin L 0.0017 0.0912 0.2269
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.079 0.084
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.1108 0.2757
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.1045 0.2602
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0033 0.2249 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Brugia malayi hypothetical protein 0.002 0.1108 0.3417
Brugia malayi Cathepsin L-like cysteine proteinase 0.0022 0.1337 0.4125
Entamoeba histolytica cysteine protease, putative 0.0033 0.2249 1
Mycobacterium leprae Conserved hypothetical protein 0.0007 0.0071 0.5
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0011 0.0403 0.0429
Loa Loa (eye worm) CYP4Cod1 0.0016 0.079 0.084
Loa Loa (eye worm) hypothetical protein 0.012 0.9401 1
Trypanosoma cruzi cysteine peptidase, putative 0.0127 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Brugia malayi Cytochrome P450 family protein 0.0016 0.079 0.2436
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Brugia malayi Cathepsin L-like precursor 0.0033 0.2249 0.6937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0912 0.4054
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0007 0.0071 0.5
Onchocerca volvulus 0.0033 0.2249 1
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.2249 1
Trypanosoma cruzi cysteine peptidase, putative 0.0127 1 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Trypanosoma cruzi cysteine peptidase, putative 0.0011 0.0403 0.0403
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.2249 0.5597
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0007 0.0071 0.5
Echinococcus multilocularis cysteine protease 0.0033 0.2249 0.5597
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.1108 0.2757
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.2249 0.2393
Loa Loa (eye worm) hypothetical protein 0.001 0.0304 0.0323
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0016 0.079 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.3242 0.3449
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3242 0.8068
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Schistosoma mansoni hypothetical protein 0.0007 0.0071 0.0178
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0007 0.0071 0.0071
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0912 0.2812
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0007 0.0071 0.5
Schistosoma mansoni cytochrome P450 0.0007 0.0071 0.0178
Entamoeba histolytica cysteine proteinase 1, putative 0.0017 0.0912 0.4054
Brugia malayi Cathepsin L-like precursor 0.0033 0.2249 0.6937
Trypanosoma cruzi cysteine protease, putative 0.0017 0.0912 0.0912
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0304 0.0756
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.2249 0.6937
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0304 0.0756
Onchocerca volvulus 0.0022 0.1337 0.5946
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.146 0.649
Loa Loa (eye worm) hypothetical protein 0.0022 0.1337 0.1423
Plasmodium vivax vivapain-2 0.0033 0.2249 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0304 0.0756
Loa Loa (eye worm) hypothetical protein 0.0033 0.2249 0.2393
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0304 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.2249 1
Onchocerca volvulus Cathepsin L homolog 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0543 0.2413
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.1108 0.2757
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0007 0.0071 0.5
Schistosoma mansoni lipoxygenase 0.002 0.1108 0.2757
Echinococcus multilocularis bloom syndrome protein 0.0024 0.146 0.3632
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.1108 0.2757
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0304 0.135
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0822 0.3655
Brugia malayi cytochrome P450 0.0007 0.0071 0.022
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Echinococcus granulosus cathepsin l1 0.0022 0.1337 0.3328
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.2249 0.5597
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0011 0.0403 0.1243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3242 0.8068
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0007 0.0071 0.0071
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.2249 0.2393
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0912 0.4054
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0543 0.0543
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0007 0.0071 0.5
Onchocerca volvulus 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0912 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Echinococcus multilocularis RUN 0.002 0.1108 0.2757
Trypanosoma brucei cytochrome P450, putative 0.0016 0.079 0.079
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.4018 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Leishmania major cytochrome p450-like protein 0.0007 0.0071 0.0071
Leishmania major cathepsin L-like protease 0.0033 0.2249 0.2249
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0007 0.0071 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0543 0.0543
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Loa Loa (eye worm) hypothetical protein 0.002 0.1108 0.1179
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0912 0.2812
Onchocerca volvulus 0.0033 0.2249 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0007 0.0071 0.5
Schistosoma mansoni loxhd1 0.002 0.1108 0.2757
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0912 0.2269
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0007 0.0071 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0912 0.0912
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.2249 0.5597
Schistosoma mansoni polycystin 1-related 0.002 0.1108 0.2757
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0912 0.2269
Leishmania major cytochrome p450-like protein 0.0016 0.079 0.079
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0007 0.0071 0.5
Onchocerca volvulus 0.0033 0.2249 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.2249 0.5597
Schistosoma mansoni rab6-interacting 0.002 0.1108 0.2757
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.2249 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0403 0.0429
Brugia malayi Cathepsin L-like precursor 0.0033 0.2249 0.6937
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.1108 0.4926
Onchocerca volvulus 0.0033 0.2249 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0007 0.0071 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0304 0.0323
Leishmania major cathepsin L-like protease 0.0033 0.2249 0.2249
Loa Loa (eye worm) hypothetical protein 0.0011 0.0403 0.0429
Leishmania major cathepsin L-like protease 0.0127 1 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.2249 0.6937
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.2249 0.5597
Brugia malayi Cathepsin L-like precursor 0.0033 0.2249 0.6937
Mycobacterium leprae putative cytochrome p450 0.0007 0.0071 0.5
Loa Loa (eye worm) cytochrome P450 0.0007 0.0071 0.0076
Leishmania major cathepsin L-like protease 0.0033 0.2249 0.2249
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0007 0.0071 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1337 0.5946
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3242 0.8068
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.1221 0.5427
Loa Loa (eye worm) hypothetical protein 0.0022 0.1337 0.1423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3242 0.8068
Loa Loa (eye worm) ctsf protein 0.0033 0.2249 0.2393
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0007 0.0071 0.0071
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Echinococcus multilocularis cysteine protease 0.0033 0.2249 0.5597
Brugia malayi Cytochrome P450 family protein 0.0007 0.0071 0.022
Brugia malayi Cathepsin L-like precursor 0.0022 0.1337 0.4125
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0007 0.0071 0.5
Loa Loa (eye worm) fibroinase 0.0033 0.2249 0.2393
Brugia malayi Cathepsin L-like precursor 0.0011 0.0403 0.1243
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.1636 0.1741
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0304 0.135
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Brugia malayi cathepsin L-like precursor 0.0022 0.1337 0.4125
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0912 0.0912
Onchocerca volvulus 0.002 0.1108 0.4926
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.2249 0.5597
Plasmodium vivax vivapain-3 0.0017 0.0912 0.4054
Echinococcus granulosus cysteine protease 0.0017 0.0912 0.2269
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0033 0.2249 1
Plasmodium vivax vivapain-1 0.0017 0.0912 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0017 0.0912 0.0912
Echinococcus multilocularis cathepsin L 0.0017 0.0912 0.2269
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Echinococcus granulosus cathepsin l1 0.0033 0.2249 0.5597
Brugia malayi Cytochrome P450 family protein 0.0016 0.079 0.2436
Trypanosoma cruzi cruzipain precursor, putative 0.0127 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0011 0.0403 0.1243
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.2249 1
Loa Loa (eye worm) hypothetical protein 0.002 0.1108 0.1179
Plasmodium falciparum cysteine proteinase falcipain 1 0.0017 0.0912 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0912 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3242 0.8068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Leishmania major cysteine peptidase A (CPA) 0.0033 0.2249 0.2249
Echinococcus granulosus cathepsin L cysteine protease 0.0017 0.0912 0.2269
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.4018 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0912 0.0912
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0304 0.135
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0912 0.4054
Schistosoma mansoni hypothetical protein 0.002 0.1108 0.2757
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0007 0.0071 0.0071
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.2249 0.5597
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.146 0.4502
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.2249 0.2249
Loa Loa (eye worm) hypothetical protein 0.0009 0.021 0.0223
Trypanosoma cruzi cruzipain precursor, putative 0.0011 0.0403 0.0403
Trypanosoma cruzi major cysteine proteinase, putative 0.01 0.7751 0.7751
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Onchocerca volvulus 0.002 0.1108 0.4926
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3242 0.8068
Brugia malayi Cathepsin L-like precursor 0.0022 0.1337 0.4125
Brugia malayi Cytochrome P450 family protein 0.0026 0.1636 0.5047
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0007 0.0071 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0116 0.9088 0.9088
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0007 0.0071 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0007 0.0071 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1337 0.5946
Leishmania major cathepsin L-like protease 0.0127 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.079 0.084
Echinococcus multilocularis 0.0007 0.0071 0.0178
Loa Loa (eye worm) doublecortin family protein 0.002 0.1108 0.1179
Plasmodium falciparum LCCL domain-containing protein 0.002 0.1108 0.4926
Onchocerca volvulus Cathepsin L homolog 0.0033 0.2249 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0912 0.4054
Plasmodium vivax vivapain-2 0.0033 0.2249 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0912 0.2269
Echinococcus granulosus bloom syndrome protein 0.0024 0.146 0.3632
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0007 0.0071 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.3242 1
Entamoeba histolytica cysteine proteinase 2 0.0017 0.0912 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0912 0.0912
Schistosoma mansoni cathepsin s 0.0011 0.0403 0.1003
Toxoplasma gondii cytochrome p450 superfamily protein 0.0007 0.0071 0.0318
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.2249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.2249 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.1108 0.2757
Plasmodium vivax unspecified product 0.0017 0.0912 0.4054
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0007 0.0071 0.5
Loa Loa (eye worm) RecQ helicase 0.0024 0.146 0.1553

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 19.4 uM Cytotoxicity against human Jijoye cells assessed as growth inhibition after 48 hrs by MTT assay ChEMBL. 23455056
IC50 (functional) = 21.4 uM Cytotoxicity against human Jurkat cells assessed as growth inhibition after 48 hrs by MTT assay ChEMBL. 23455056

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23455056

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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