Detailed information for compound 417143

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1613.96 | Formula: C98H172ClN14O2-
  • H donors: 4 H acceptors: 4 LogP: 22.22 Rotable bonds: 42
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCC1CCN(CCCNC(=O)CCC2=C(C)C3=Cc4[nH]c(c(c4C)CC)C=C4N=C(C=c5[nH]c(=CC2=N3)c(CCC(=O)NCCCN2CCCN(C)CCCCN(CCCN(C(CC2)CCCCCCCCCCCCC)C)C)c5C)C(=C4C)CC)CCCN(C)CCCCN(CCCN1C)C.[Cl-]
  • InChi: 1S/C98H172N14O2.ClH/c1-15-19-21-23-25-27-29-31-33-35-37-49-83-55-73-111(71-47-65-107(11)61-41-39-59-105(9)63-45-67-109(83)13)69-43-57-99-97(113)53-51-87-81(7)90-75-89-79(5)85(17-3)93(101-89)76-91-80(6)86(18-4)94(102-91)77-92-82(8)88(96(104-92)78-95(87)103-90)52-54-98(114)100-58-44-70-112-72-48-66-108(12)62-42-40-60-106(10)64-46-68-110(14)84(56-74-112)50-38-36-34-32-30-28-26-24-22-20-16-2;/h75-78,83-84,101,104H,15-74H2,1-14H3,(H,99,113)(H,100,114);1H/p-1/b89-75-,90-75-,91-76-,92-77-,93-76-,94-77-,95-78-,96-78-;
  • InChiKey: YUGZRMQREFQDIX-DDXMYLRPSA-M  


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
Brugia malayi hypothetical protein 0.0025 0.0243 0.0347
Echinococcus granulosus survival motor neuron protein 1 0.024 0.5343 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0404 0.0404
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0388 0.1669
Schistosoma mansoni glucose transport protein 0.0103 0.2094 0.8997
Brugia malayi Cathepsin L-like precursor 0.0017 0.006 0.0086
Loa Loa (eye worm) hypothetical protein 0.0023 0.0201 0.0371
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0307 0.6918 1
Toxoplasma gondii hypothetical protein 0.0049 0.0828 0.1266
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.2094 1
Schistosoma mansoni hypothetical protein 0.0035 0.0477 0.2048
Onchocerca volvulus 0.0017 0.006 0.0733
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0413 0.0597
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0119 0.0343
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.3094 0.4472
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0119 0.0343
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0413 0.0597
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0413 0.1973
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0757 0.3252
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0357 0.0669
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.006 0.0086
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0307 0.6918 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0678 0.098
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0413 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.006 0.0286
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0201 0.0578
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0103 0.2094 0.392
Onchocerca volvulus 0.0017 0.006 0.0733
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0757 0.3252
Loa Loa (eye worm) hypothetical protein 0.0016 0.0037 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.006 0.0286
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0413 0.1973
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.3482 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0678 0.098
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.1191 0.1722
Loa Loa (eye worm) hypothetical protein 0.0017 0.006 0.011
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0307 0.6918 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0817 0.351
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0388 0.956
Trypanosoma cruzi hexose transporter 0.0032 0.0413 0.0597
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.006 0.0257
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Schistosoma mansoni hypothetical protein 0.0103 0.2094 0.8997
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0037 0.0052
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.051 0.0737
Loa Loa (eye worm) hypothetical protein 0.0031 0.0388 0.0716
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0388 0.0556
Brugia malayi Cathepsin L-like precursor 0.0017 0.006 0.0086
Brugia malayi hypothetical protein 0.0016 0.0035 0.005
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0404 0.0755
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.024 0.5343 0.9842
Plasmodium vivax vivapain-2 0.0017 0.006 0.006
Plasmodium vivax vivapain-2 0.0017 0.006 0.006
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.006 0.011
Loa Loa (eye worm) ctsf protein 0.0017 0.006 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0201 0.5182
Schistosoma mansoni glucose transport protein 0.0103 0.2094 0.8997
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0157
Leishmania major cathepsin L-like protease 0.0017 0.006 0.0087
Brugia malayi hypothetical protein 0.024 0.5343 0.7653
Loa Loa (eye worm) cysteine protease 0.0017 0.006 0.011
Brugia malayi Cathepsin L-like precursor 0.0017 0.006 0.0086
Loa Loa (eye worm) sugar transporter 0.0103 0.2094 0.3858
Onchocerca volvulus 0.0017 0.006 0.0733
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0357 0.0669
Plasmodium vivax CDK-related protein kinase 6, putative 0.0437 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0243 0.0351
Plasmodium falciparum mitogen-activated protein kinase 2 0.0166 0.3595 0.3595
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.006 0.0112
Loa Loa (eye worm) hypothetical protein 0.0031 0.0388 0.0716
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0757 0.1085
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Plasmodium falciparum proline--tRNA ligase 0.0036 0.051 0.051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0757 0.3252
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Leishmania major mitochondrial DNA polymerase beta 0.0307 0.6918 1
Onchocerca volvulus 0.0017 0.006 0.0733
Brugia malayi Cam kinase protein 1 0.0032 0.0404 0.0578
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.006 0.0112
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.006 0.006
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0404 0.0404
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0404 0.0617
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0201 0.5
Plasmodium vivax hexose transporter 0.0103 0.2094 0.2094
Entamoeba histolytica protein kinase, putative 0.0032 0.0404 1
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0388 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0757 0.1417
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0243 0.0351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Brugia malayi Cathepsin L-like precursor 0.0017 0.006 0.0086
Schistosoma mansoni glucose transport protein 0.0103 0.2094 0.8997
Leishmania major cathepsin L-like protease 0.0017 0.006 0.0087
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0068
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.051 0.0737
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0201 0.0578
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.051 0.0737
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.051 0.0737
Leishmania major hypothetical protein, conserved 0.0025 0.0243 0.0351
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0037 0.0067
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.051 0.0737
Leishmania major cathepsin L-like protease 0.0017 0.006 0.0087
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0856 0.1226
Onchocerca volvulus Cathepsin L homolog 0.0017 0.006 0.0733
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0388 0.0727
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0961
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0 0.5
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.051 0.0779
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0404 0.0743
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0201 0.0865
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0404 0.0583
Leishmania major cathepsin L-like protease 0.0017 0.006 0.0087
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0404 0.0617
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0388 0.1855
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.1191 0.1722
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0201 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0413 0.1973
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0157
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0201 0.3046
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0856 0.1226
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Loa Loa (eye worm) hypothetical protein 0.0244 0.5428 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.3094 0.4472
Plasmodium falciparum hexose transporter 0.0103 0.2094 0.2094
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0201 0.0201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Brugia malayi Amyloid A4 extracellular domain containing protein 0.031 0.6981 1
Plasmodium falciparum protein kinase 7 0.0291 0.6542 0.6542
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.1191 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0291
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0134 0.0641
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0902 0.1303
Schistosoma mansoni protein kinase 0.0032 0.0404 0.1734
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.5343 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Leishmania major glucose transporter, lmgt3 0.0032 0.0413 0.0597
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.006 0.006
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0243 0.0243
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Loa Loa (eye worm) hypothetical protein 0.0051 0.0856 0.1577
Echinococcus multilocularis cysteine protease 0.0017 0.006 0.0112
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0201 0.0308
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0166 0.3595 0.5495
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0404 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0413 0.1973
Leishmania major cathepsin L-like protease 0.0065 0.1191 0.1722
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0413 0.1973
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0856 0.1577
Schistosoma mansoni hypothetical protein 0.0049 0.0817 0.351
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0166 0.3595 0.3595
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0404 0.0404
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.006 0.0112
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.006 0.0112
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0757 0.1417
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0157
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0413 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0017 0.007 0.0102
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Loa Loa (eye worm) hypothetical protein 0.0025 0.0251 0.0463
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Toxoplasma gondii protein kinase, putative 0.0291 0.6542 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Leishmania major protein kinase, putative 0.0032 0.0404 0.0583
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0413 0.0597
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.1191 0.1722
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0404 0.0404
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.3094 0.4472
Echinococcus granulosus GPCR family 2 0.0016 0.0037 0.0068
Loa Loa (eye worm) hypothetical protein 0.0131 0.2758 0.5081
Brugia malayi Cathepsin L-like precursor 0.0017 0.006 0.0086
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0243 0.0371
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.006 0.0112
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0413 0.0597
Leishmania major cathepsin L-like protease 0.0017 0.006 0.0087
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0243 0.0351
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0068
Brugia malayi Sugar transporter family protein 0.0103 0.2094 0.3
Brugia malayi Cathepsin L-like precursor 0.0017 0.006 0.0086
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0678 0.098
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.051 0.051
Onchocerca volvulus 0.0049 0.0817 1
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0113 0.2328 1
Entamoeba histolytica protein kinase, putative 0.0032 0.0404 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0413 0.0597
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0477 0.0683
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0757 0.1417
Schistosoma mansoni protein kinase 0.0032 0.0404 0.1734
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.1058 0.1529
Toxoplasma gondii facilitative glucose transporter GT1 0.0103 0.2094 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.006 0.0087
Echinococcus multilocularis GPCR, family 2 0.0016 0.0037 0.0068
Trypanosoma brucei glucose transporter 1E 0.0032 0.0413 0.0597
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Onchocerca volvulus Cathepsin L homolog 0.0017 0.006 0.0733
Onchocerca volvulus 0.0017 0.006 0.0733
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Echinococcus granulosus General substrate transporter 0.0089 0.1752 0.3279
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0404 0.0404
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0291
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0201 0.0865
Leishmania major cathepsin L-like protease 0.0065 0.1191 0.1722
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0817 0.117
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0201 0.0288
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0404 0.0404
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0388 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0388 0.0556
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0413 0.1973
Leishmania major glucose transporter, lmgt2 0.0032 0.0413 0.0597
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.006 0.006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0757 0.1417
Loa Loa (eye worm) fibroinase 0.0017 0.006 0.011
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0201 0.0201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0404 0.1734
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Echinococcus multilocularis General substrate transporter 0.0089 0.1752 0.3279
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2094 0.392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.006 0.011
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0068
Leishmania major cathepsin L-like protease 0.0065 0.1191 0.1722
Echinococcus multilocularis cysteine protease 0.0017 0.006 0.0112
Loa Loa (eye worm) hypothetical protein 0.0025 0.0243 0.0447
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.006 0.0112
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.1191 0.1722
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.006 0.0257
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0243 0.0243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.006 0.0286
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0404 0.0743
Trypanosoma brucei glucose transporter 2A 0.0032 0.0413 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0404 0.0404
Onchocerca volvulus 0.0017 0.006 0.0733
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0404 0.0617
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0404 0.0755
Leishmania major glucose transporter, lmgt1 0.0032 0.0413 0.0597
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0037 0.0052
Trypanosoma brucei glucose transporter, putative 0.0032 0.0413 0.0597
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0035 0.0477 0.0878
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0201 0.0291
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0404 0.1927
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0743
Onchocerca volvulus Cathepsin F homolog 0.0017 0.006 0.0733
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0201 0.0377
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0413 0.0597
Leishmania major cysteine peptidase A (CPA) 0.0017 0.006 0.0087
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0388 0.0727
Mycobacterium ulcerans hypothetical protein 0.0162 0.3482 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0757 0.1395
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0678 0.098
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.006 0.0286
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0388 0.1669
Loa Loa (eye worm) hypothetical protein 0.0065 0.1205 0.2221
Echinococcus granulosus cathepsin l1 0.0017 0.006 0.0112
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0863 0.1247
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0404 0.0404
Schistosoma mansoni protein kinase 0.0032 0.0404 0.1734
Toxoplasma gondii cathepsin CPL 0.0017 0.006 0.0092
Onchocerca volvulus 0.0017 0.006 0.0733
Entamoeba histolytica hypothetical protein 0.0023 0.0201 0.4114

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 50 uM Antiproliferative activity against Leishmania donovani DI700 promastigotes ChEMBL. 17116678
Inhibition (functional) = 1.7 % Growth inhibition of Leishmania donovani DI700 promastigotes at 100 uM relative to control ChEMBL. 17116678

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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