Detailed information for compound 402286

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2243.79 | Formula: C70H90Na16O43S8
  • H donors: 0 H acceptors: 32 LogP: 10.54 Rotable bonds: 78
    Rule of 5 violations (Lipinski): 3
  • SMILES: [O-]C(=O)CC(C(=O)[O-])SCCCOC1C(COCC2OC(COCCCSC(C(=O)[O-])CC(=O)[O-])C(C(C2OCCCSC(C(=O)[O-])CC(=O)[O-])OCCCSC(C(=O)[O-])CC(=O)[O-])OCCCSC(C(=O)[O-])CC(=O)[O-])C(COCCCSC(C(=O)[O-])CC(=O)[O-])OC(C1OCCCSC(C(=O)[O-])CC(=O)[O-])OCCCSC(C(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
  • InChi: 1S/C70H106O43S8.16Na/c71-49(72)25-41(62(87)88)114-17-1-9-103-34-38-37(57(106-11-3-19-116-43(64(91)92)27-51(75)76)61(110-15-7-23-120-47(68(99)100)31-55(83)84)70(113-38)111-16-8-24-121-48(69(101)102)32-56(85)86)33-105-36-40-59(108-13-5-21-118-45(66(95)96)29-53(79)80)60(109-14-6-22-119-46(67(97)98)30-54(81)82)58(107-12-4-20-117-44(65(93)94)28-52(77)78)39(112-40)35-104-10-2-18-115-42(63(89)90)26-50(73)74;;;;;;;;;;;;;;;;/h37-48,57-61,70H,1-36H2,(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102);;;;;;;;;;;;;;;;/q;16*+1/p-16
  • InChiKey: QFWYXKZONPCSEU-UHFFFAOYSA-A  


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
Plasmodium vivax unspecified product 0.0137 0.1643 0.2027
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0093 0.0905 0.0684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0093 0.0905 0.0839
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0093 0.0905 0.0684
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0093 0.0905 0.1563
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0093 0.0905 0.0839
Echinococcus multilocularis cathepsin l cysteine peptidase 0.043 0.6597 0.6597
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.023 0.3213 0.4553
Schistosoma mansoni cathepsin C 0.0093 0.0905 0.0684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Plasmodium vivax vivapain-1 0.023 0.3213 0.4553
Trypanosoma cruzi cysteine proteinase, putative 0.023 0.3213 0.2942
Echinococcus multilocularis cathepsin L cysteine protease 0.043 0.6597 0.6597
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0093 0.0905 0.0684
Brugia malayi Papain family cysteine protease containing protein 0.023 0.3213 0.3047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Plasmodium vivax unspecified product 0.023 0.3213 0.4553
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0093 0.0905 0.0905
Giardia lamblia Cathepsin B precursor 0.026 0.3718 1
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Onchocerca volvulus 0.043 0.6597 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0093 0.0905 0.0839
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.026 0.3718 0.3565
Leishmania major cysteine peptidase A (CPA) 0.043 0.6597 1
Onchocerca volvulus Cathepsin L homolog 0.043 0.6597 1
Brugia malayi fibroinase precursor 0.0093 0.0905 0.0684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0093 0.0905 0.0684
Trypanosoma cruzi cysteine proteinase, putative 0.023 0.3213 0.2942
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.0905 0.0684
Trypanosoma cruzi cysteine peptidase, putative 0.043 0.6597 0.6461
Giardia lamblia Cathepsin L precursor 0.0093 0.0905 0.1563
Entamoeba histolytica cysteine proteinase, putative 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Brugia malayi Cathepsin L-like precursor 0.0293 0.429 0.415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.023 0.3213 0.4553
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0093 0.0905 0.0684
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Loa Loa (eye worm) hypothetical protein 0.0093 0.0905 0.0905
Onchocerca volvulus 0.043 0.6597 1
Echinococcus granulosus cathepsin l1 0.043 0.6597 0.6499
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0093 0.0905 0.0839
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0632 1 1
Plasmodium vivax vivapain-2 0.043 0.6597 1
Giardia lamblia Cathepsin B precursor 0.0093 0.0905 0.1563
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0093 0.0905 0.0684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Loa Loa (eye worm) cathepsin B 0.026 0.3718 0.3718
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.023 0.3213 0.3047
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.043 0.6597 1
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0093 0.0905 0.0839
Schistosoma mansoni hypothetical protein 0.0169 0.2197 0.2007
Brugia malayi Cathepsin L-like precursor 0.043 0.6597 0.6514
Loa Loa (eye worm) hypothetical protein 0.0093 0.0905 0.0905
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Echinococcus multilocularis cathepsin L 0.023 0.3213 0.3213
Toxoplasma gondii cathepsin CPC1 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.0905 0.0839
Giardia lamblia Cathepsin L precursor 0.0093 0.0905 0.1563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Onchocerca volvulus 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.026 0.3718 0.5366
Trypanosoma cruzi cruzipain precursor, putative 0.0137 0.1643 0.131
Giardia lamblia Cysteine protease 0.0093 0.0905 0.1563
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0293 0.429 0.6286
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Giardia lamblia Cathepsin L precursor 0.0093 0.0905 0.1563
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.043 0.6597 0.6597
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Loa Loa (eye worm) calpain family protein 1 0.0053 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0093 0.0905 0.0905
Brugia malayi Papain family cysteine protease containing protein 0.023 0.3213 0.3047
Trypanosoma cruzi cysteine peptidase, putative 0.043 0.6597 0.6461
Entamoeba histolytica cysteine proteinase, putative 0.023 0.3213 0.4553
Plasmodium falciparum serine repeat antigen 4 0.0093 0.0905 0.0839
Loa Loa (eye worm) cysteine protease 0.043 0.6597 0.6597
Entamoeba histolytica cysteine proteinase 2 0.023 0.3213 0.4553
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0093 0.0905 0.0839
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0293 0.429 0.4061
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.043 0.6597 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.043 0.6597 0.6597
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0279 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Schistosoma mansoni cathepsin F (C01 family) 0.0293 0.429 0.415
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0093 0.0905 0.1563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.023 0.3213 0.4553
Echinococcus multilocularis cathepsin L cysteine protease 0.043 0.6597 0.6597
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0093 0.0905 0.0684
Echinococcus granulosus cathepsin l1 0.0293 0.429 0.4126
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0137 0.1643 0.144
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0093 0.0905 0.0684
Entamoeba histolytica cysteine proteinase, putative 0.0293 0.429 0.6286
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.023 0.3213 0.3047
Entamoeba histolytica cysteine proteinase 1, putative 0.023 0.3213 0.4553
Schistosoma mansoni cathepsin F (C01 family) 0.043 0.6597 0.6514
Brugia malayi Cathepsin L-like precursor 0.043 0.6597 0.6514
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Giardia lamblia Cathepsin B precursor 0.0093 0.0905 0.1563
Entamoeba histolytica cysteine protease, putative 0.0093 0.0905 0.0839
Echinococcus multilocularis geminin 0.0169 0.2197 0.2197
Echinococcus granulosus cathepsin b 0.0632 1 1
Brugia malayi cathepsin L precursor 0.0093 0.0905 0.0684
Trypanosoma brucei cysteine peptidase C (CPC) 0.026 0.3718 0.5366
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.0905 0.0684
Brugia malayi Cathepsin L-like precursor 0.043 0.6597 0.6514
Brugia malayi KE2 family protein 0.0062 0.0384 0.015
Echinococcus granulosus prefoldin subunit 6 0.0062 0.0384 0.0108
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Brugia malayi cathepsin L-like cysteine proteinase 0.0093 0.0905 0.0684
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.0905 0.0839
Giardia lamblia Cathepsin L precursor 0.0093 0.0905 0.1563
Plasmodium falciparum cysteine proteinase falcipain 2b 0.043 0.6597 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0905 0.0905
Giardia lamblia Cathepsin L precursor 0.0093 0.0905 0.1563
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0093 0.0905 0.0684
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Echinococcus multilocularis cysteine protease 0.043 0.6597 0.6597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Trypanosoma cruzi cysteine peptidase, putative 0.0137 0.1643 0.131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Brugia malayi Cathepsin L-like precursor 0.0293 0.429 0.415
Echinococcus granulosus cathepsin b 0.0632 1 1
Giardia lamblia Hypothetical protein 0.0093 0.0905 0.1563
Giardia lamblia Encystation-specific protease 0.0093 0.0905 0.1563
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.1643 0.1643
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0093 0.0905 0.0839
Brugia malayi cathepsin Z-like cysteine proteinase 0.0093 0.0905 0.0684
Loa Loa (eye worm) hypothetical protein 0.0062 0.0384 0.0384
Echinococcus multilocularis calpain A 0.0056 0.0279 0.0279
Plasmodium vivax serine-repeat antigen (SERA) 0.0093 0.0905 0.0839
Onchocerca volvulus 0.043 0.6597 1
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0093 0.0905 0.0684
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Toxoplasma gondii cathepsin CPL 0.043 0.6597 1
Trypanosoma cruzi cysteine protease, putative 0.023 0.3213 0.2942
Plasmodium falciparum serine repeat antigen 8 0.0093 0.0905 0.0839
Echinococcus multilocularis cathepsin l cysteine peptidase 0.043 0.6597 0.6597
Schistosoma mansoni cathepsin B (C01 family) 0.0093 0.0905 0.0684
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0632 1 1
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.043 0.6597 1
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.0905 0.0684
Plasmodium falciparum cysteine proteinase falcipain 2a 0.043 0.6597 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0093 0.0905 0.0839
Brugia malayi Papain family cysteine protease containing protein 0.043 0.6597 0.6514
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.0905 0.0839
Giardia lamblia Cathepsin L-like protease 0.0093 0.0905 0.1563
Giardia lamblia Cathepsin L-like protease 0.0093 0.0905 0.1563
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.0905 0.0839
Loa Loa (eye worm) fibroinase 0.043 0.6597 0.6597
Plasmodium vivax vivapain-3 0.023 0.3213 0.4553
Onchocerca volvulus Cathepsin L homolog 0.043 0.6597 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0093 0.0905 0.0684
Onchocerca volvulus 0.043 0.6597 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0609 0.9612 0.9601
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.0905 0.0839
Echinococcus multilocularis cathepsin b 0.0632 1 1
Plasmodium falciparum serine repeat antigen 7 0.0093 0.0905 0.0839
Giardia lamblia Cysteine protease 0.0093 0.0905 0.1563
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0093 0.0905 0.0839
Echinococcus multilocularis prefoldin subunit 6 0.0062 0.0384 0.0384
Schistosoma mansoni cathepsin F (C01 family) 0.043 0.6597 0.6514
Entamoeba histolytica cysteine protease, putative 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.0905 0.0839
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0632 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.0905 0.0839
Echinococcus granulosus cathepsin L 0.0093 0.0905 0.0644
Plasmodium falciparum serine repeat antigen 3 0.0093 0.0905 0.0839
Loa Loa (eye worm) hypothetical protein 0.0137 0.1643 0.1643
Echinococcus granulosus geminin 0.0169 0.2197 0.1974
Echinococcus multilocularis cathepsin L 0.0093 0.0905 0.0905
Giardia lamblia Cysteine protease 0.0093 0.0905 0.1563
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.026 0.3718 0.5366
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0056 0.0279 0.0279
Entamoeba histolytica cysteine protease, putative 0.0093 0.0905 0.0839
Schistosoma mansoni hypothetical protein 0.0169 0.2197 0.2007
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0093 0.0905 0.0839
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0093 0.0905 0.0905
Entamoeba histolytica cysteine protease, putative 0.0093 0.0905 0.0839
Plasmodium falciparum serine repeat antigen 9 0.0093 0.0905 0.0839
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0632 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.043 0.6597 0.6461
Loa Loa (eye worm) hypothetical protein 0.0293 0.429 0.429
Onchocerca volvulus 0.0293 0.429 0.5946
Entamoeba histolytica cysteine proteinase, putative 0.023 0.3213 0.4553
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Schistosoma mansoni cathepsin s 0.0137 0.1643 0.144
Trypanosoma cruzi major cysteine proteinase, putative 0.0093 0.0905 0.0542
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.043 0.6597 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0093 0.0905 0.0905
Entamoeba histolytica cysteine protease, putative 0.0093 0.0905 0.0839
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0137 0.1643 0.144
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0093 0.0905 0.0839
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Trypanosoma cruzi cysteine peptidase, putative 0.043 0.6597 0.6461
Entamoeba histolytica hypothetical protein 0.0093 0.0905 0.0839
Giardia lamblia Cathepsin B precursor 0.0093 0.0905 0.1563
Echinococcus granulosus cathepsin l cysteine peptidase 0.043 0.6597 0.6499
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0093 0.0905 0.0839
Plasmodium falciparum serine repeat antigen 6 0.0093 0.0905 0.0839
Plasmodium falciparum serine repeat antigen 5 0.0093 0.0905 0.0839
Trypanosoma cruzi cysteine peptidase, putative 0.023 0.3213 0.2942
Loa Loa (eye worm) hypothetical protein 0.0137 0.1643 0.1643
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0293 0.429 0.6286
Brugia malayi Cathepsin L-like precursor 0.0137 0.1643 0.144
Plasmodium vivax serine-repeat antigen (SERA) 0.0093 0.0905 0.0839
Loa Loa (eye worm) hypothetical protein 0.0293 0.429 0.429
Brugia malayi Cathepsin L-like precursor 0.043 0.6597 0.6514
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0093 0.0905 0.0839
Brugia malayi cathepsin L-like precursor 0.0293 0.429 0.415
Echinococcus granulosus cathepsin L 0.023 0.3213 0.3018
Entamoeba histolytica cysteine proteinase, putative 0.023 0.3213 0.4553
Trypanosoma cruzi major cysteine proteinase, putative 0.0093 0.0905 0.0542
Giardia lamblia Hypothetical protein 0.0093 0.0905 0.1563
Loa Loa (eye worm) hypothetical protein 0.0053 0.0238 0.0238
Giardia lamblia Cathepsin L precursor 0.0093 0.0905 0.1563
Loa Loa (eye worm) hypothetical protein 0.0293 0.429 0.429
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0093 0.0905 0.1563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Schistosoma mansoni hypothetical protein 0.0062 0.0384 0.015
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.026 0.3718 0.3467
Loa Loa (eye worm) hypothetical protein 0.0047 0.0136 0.0136
Entamoeba histolytica cysteine protease, putative 0.043 0.6597 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.023 0.3213 0.2942
Giardia lamblia Cathepsin B precursor 0.0093 0.0905 0.1563
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0093 0.0905 0.1563
Trypanosoma cruzi cysteine peptidase, putative 0.043 0.6597 0.6461
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0137 0.1643 0.1643
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Loa Loa (eye worm) ctsf protein 0.043 0.6597 0.6597
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0093 0.0905 0.0684
Plasmodium vivax vivapain-2 0.043 0.6597 1
Plasmodium falciparum serine repeat antigen 2 0.0093 0.0905 0.0839
Plasmodium vivax unspecified product 0.0093 0.0905 0.0839
Onchocerca volvulus 0.043 0.6597 1
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0632 1 1
Schistosoma mansoni cathepsin S (C01 family) 0.0093 0.0905 0.0684
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0093 0.0905 0.0839
Echinococcus granulosus cysteine protease 0.023 0.3213 0.3018
Giardia lamblia Cathepsin B precursor 0.026 0.3718 1
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0093 0.0905 0.0839
Entamoeba histolytica cysteine proteinase, putative 0.023 0.3213 0.4553
Toxoplasma gondii preprocathepsin c precursor, putative 0.0093 0.0905 0.0839
Onchocerca volvulus Cathepsin F homolog 0.043 0.6597 1
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0905 0.0905
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.0905 0.0839
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Toxoplasma gondii cathepsin CPC2 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Loa Loa (eye worm) hypothetical protein 0.0632 1 1
Giardia lamblia Cathepsin B precursor 0.0093 0.0905 0.1563
Giardia lamblia Cysteine protease 0.0093 0.0905 0.1563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.043 0.6597 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.043 0.6597 0.6499
Giardia lamblia Cathepsin B precursor 0.026 0.3718 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.023 0.3213 0.4553
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.023 0.3213 0.3047
Brugia malayi Cathepsin L-like precursor 0.043 0.6597 0.6514
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Leishmania major cathepsin L-like protease 0.043 0.6597 1
Echinococcus granulosus cathepsin L cysteine protease 0.023 0.3213 0.3018
Loa Loa (eye worm) hypothetical protein 0.043 0.6597 0.6597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.0905 0.0839
Entamoeba histolytica cysteine proteinase, putative 0.043 0.6597 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.023 0.3213 0.4553
Onchocerca volvulus 0.043 0.6597 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0905 0.0905
Entamoeba histolytica cysteine protease, putative 0.023 0.3213 0.4553
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.6597 1
Echinococcus multilocularis cathepsin b 0.0632 1 1
Brugia malayi Cathepsin L-like precursor 0.043 0.6597 0.6514
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0279 0.0042
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0093 0.0905 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.0905 0.0839
Toxoplasma gondii cathepsin B 0.026 0.3718 0.5366
Brugia malayi Cathepsin L-like cysteine proteinase 0.0293 0.429 0.415
Echinococcus multilocularis cysteine protease 0.043 0.6597 0.6597
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0609 0.9612 0.9612
Plasmodium falciparum serine repeat antigen 1 0.0093 0.0905 0.0839
Entamoeba histolytica cysteine protease, putative 0.0093 0.0905 0.0839

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 56.4 uM Concentration of the compound required to reduce the viability of uninfected MT-4 cells by 50% ChEMBL. 9022801
CC50 (functional) > 56.4 uM Concentration of the compound required to reduce the viability of uninfected MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) 0 uM Concentration of the compound required to reduce herpes simplex virus-1TK (F) inducted cytopathicity by 50% (E6SM cells); Not determined ChEMBL. 9022801
IC50 (functional) 0 uM Concentration of the compound required to reduce herpes simplex virus-1TK (McIntyre) inducted cytopathicity by 50% (E6SM cells); Not determined ChEMBL. 9022801
IC50 (functional) 0 uM Concentration of the compound required to reduce herpes simplex virus-2(196) inducted cytopathicity by 50% (E6SM cells); Not determined ChEMBL. 9022801
IC50 (functional) 0 uM Concentration of the compound required to reduce herpes simplex virus-2(Lyons) inducted cytopathicity by 50% (E6SM cells); Not determined ChEMBL. 9022801
IC50 (functional) 0 uM Concentration of the compound required to reduce forest virus-inducted cytopathicity by 50% (Vero cells); Not determined ChEMBL. 9022801
IC50 (functional) 0 uM Concentration of the compound required to reduce polio-1 virus-inducted cytopathicity by 50% (HeLa cells); Not determined ChEMBL. 9022801
IC50 (functional) = 0.67 uM Concentration of the compound required to inhibit human immunodeficiency virus-1 induced cytopathicity in MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) = 0.67 uM Concentration of the compound required to inhibit human immunodeficiency virus-1 induced cytopathicity in MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) = 1.85 uM Concentration of the compound required to inhibit human immunodeficiency virus-1 induced cytopathicity in MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) = 1.85 uM Concentration of the compound required to inhibit human immunodeficiency virus-1 induced cytopathicity in MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to reduce human cytomegalo virus(AD-169) inducted cytopathicity by 50% (HEL cells) ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to reduce human cytomegalo virus(Davis) inducted cytopathicity by 50% (HEL cells) ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to reduce Junin virus-inducted cytopathicity by 50% (Vero cells) ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to reduce Tacaribe virus-inducted cytopathicity by 50% (Vero cells) ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to inhibit HEL cell growth by 50% ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to reduce human cytomegalo virus(AD-169) inducted cytopathicity by 50% (HEL cells) ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to reduce human cytomegalo virus(Davis) inducted cytopathicity by 50% (HEL cells) ChEMBL. 9022801
IC50 (functional) > 22 uM Concentration of the compound required to inhibit HEL cell growth by 50% ChEMBL. 9022801
IC50 (functional) > 56.4 uM Concentration of the compound required to inhibit human immunodeficiency virus-2 induced cytopathicity in MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) > 56.4 uM Concentration of the compound required to inhibit human immunodeficiency virus-2 induced cytopathicity in MT-4 cells by 50% ChEMBL. 9022801
IC50 (functional) > 113 uM Concentration required to inhibit by 50% human immunodeficiency virus-1 induced syncytium formation upon coculturing persistently HIV-infected HUT-78 cells with MOLT-4 cells ChEMBL. 9022801
IC50 (functional) > 113 uM Concentration of the compound required to inhibit by 50% human immunodeficiency virus-2 induced syncytium formation upon coculturing persistently HIV-infected HUT-78 cells with MOLT-4 cells ChEMBL. 9022801
IC50 (functional) > 113 uM Concentration of the compound required to inhibit by 50% human immunodeficiency virus-2 induced syncytium formation upon coculturing persistently HIV-infected HUT-78 cells with MOLT-4 cells ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-1TK( B2006) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-1TK (VMW1837) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-1TK (KOS) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-2(G) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration required to reduce vaccinia virus-inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce vesicular stomatitis virus-inducted cytopathicity by 50% (HeLa cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce parainfuenza-3 virus-inducted cytopathicity by 50% (Vero cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce reovirus-1 inducted cytopathicity by 50% (Vero cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce sindbis virus-inducted cytopathicity by 50% (Vero cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce Coxsackie virus-inducted cytopathicity by 50% (Vero cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce Coxsackie virus-inducted cytopathicity by 50% (HeLa cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to cause a microscopically detectable alteration of normal E6SM cell morphology ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to cause a microscopically detectable alteration of normal Hela cell morphology ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to cause a microscopically detectable alteration of normal Vero cell morphology ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-1TK( B2006) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-1TK (VMW1837) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-1TK (KOS) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce herpes simplex virus-2(G) inducted cytopathicity by 50% (E6SM cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce vesicular stomatitis virus-inducted cytopathicity by 50% (HeLa cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to reduce Coxsackie virus-inducted cytopathicity by 50% (HeLa cells) ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to cause a microscopically detectable alteration of normal E6SM cell morphology ChEMBL. 9022801
IC50 (functional) > 181 uM Concentration of the compound required to cause a microscopically detectable alteration of normal Hela cell morphology ChEMBL. 9022801

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 9022801

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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