Detailed information for compound 379305

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1222.47 | Formula: C58H99N11O17
  • H donors: 17 H acceptors: 16 LogP: -0.32 Rotable bonds: 31
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)NCC[C@H]([C@@H]1NC(=O)[C@@H](NC(=O)C2C[C@H](CN2C(=O)[C@@H](NC(=O)C(C[C@H]([C@H](NC(=O)C2CN(C1=O)C[C@@H]2O)OCCN)O)NC(=O)CCCCCCCCC(CC(CC)C)C)[C@H](O)C)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)O)N
  • InChi: 1S/C58H99N11O17/c1-5-32(2)26-33(3)14-10-8-6-7-9-11-16-45(76)63-40-28-43(74)56(86-25-23-60)67-51(79)38-30-68(31-44(38)75)57(84)47(42(73)21-24-62-52(80)39(61)15-12-13-22-59)65-55(83)48(50(78)49(77)35-17-19-36(71)20-18-35)66-54(82)41-27-37(72)29-69(41)58(85)46(34(4)70)64-53(40)81/h17-20,32-34,37-44,46-50,56,70-75,77-78H,5-16,21-31,59-61H2,1-4H3,(H,62,80)(H,63,76)(H,64,81)(H,65,83)(H,66,82)(H,67,79)/t32?,33?,34-,37-,38?,39+,40?,41?,42-,43-,44+,46+,47+,48+,49+,50+,56-/m1/s1
  • InChiKey: AZWUNFSPIAYYOZ-XYMYCTPNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida glabrata 1,3-beta-glucan synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae FKS3 (YMR306W) 1,3-beta glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans beta-1,3-glucan synthase similar to S. cerevisiae GSC2 (YGR032W) and FKS1 (YLR342W) beta-1,3-glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans C terminus of glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans C terminus of glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans N terminus of glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Neospora caninum hypothetical protein Get druggable targets OG5_127693 All targets in OG5_127693
Toxoplasma gondii 1,3-beta-glucan synthase component protein Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans beta-1,3-glucan synthase similar to S. cerevisiae GSC2 (YGR032W) and FKS1 (YLR342W) beta-1,3-glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
Candida albicans N terminus of glucan synthase Get druggable targets OG5_127693 All targets in OG5_127693
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
Echinococcus granulosus survival motor neuron protein 1 0.0273 0.145 0.3698
Echinococcus multilocularis dna polymerase eta 0.0048 0.0187 0.0483
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0043 0.0158 0.0125
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.017 0.0869 0.2869
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0493 0.1257
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0043 0.0158 0.0125
Mycobacterium ulcerans urease subunit alpha 0.1797 1 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0043 0.0158 0.0125
Loa Loa (eye worm) hypothetical protein 0.017 0.0869 0.2869
Leishmania major dihydroorotase, putative 0.0024 0.0052 0.006
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0034 0.0112
Echinococcus multilocularis tumor protein p63 0.039 0.2107 0.5431
Loa Loa (eye worm) cytochrome P450 family protein 0.0085 0.0392 0.1294
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0071 0.0233
Trypanosoma cruzi imidazolonepropienase, putative 0.0024 0.0052 0.006
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0555 0.3029 1
Echinococcus multilocularis dihydropyrimidinase 2 0.0024 0.0052 0.0134
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0043 0.0158 0.0125
Echinococcus multilocularis dnaJ subfamily B 0.0476 0.2589 0.6675
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0043 0.0158 0.0125
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0105 0.0505 0.1666
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0043 0.0158 0.0125
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.0187 0.0618
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0107 0.0205
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0043 0.0158 0.0125
Echinococcus multilocularis dihydropyrimidinase protein 4 0.0024 0.0052 0.0134
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Echinococcus multilocularis carbonic anhydrase 0.017 0.0869 0.2241
Trypanosoma cruzi dihydroorotase, putative 0.0024 0.0052 0.006
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0027 0.0071 0.0233
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0034 0.0112
Brugia malayi Cytochrome P450 family protein 0.0043 0.0158 0.0521
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Echinococcus granulosus imidazolonepropionase 0.0024 0.0052 0.0132
Onchocerca volvulus 0.0027 0.0071 0.1398
Trypanosoma cruzi dihydroorotase, putative 0.0024 0.0052 0.006
Giardia lamblia Kinase, PLK 0.0097 0.0459 1
Plasmodium falciparum carbonic anhydrase 0.017 0.0869 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0043 0.0158 0.0414
Echinococcus granulosus glycine receptor subunit alpha 1 0.0027 0.0071 0.018
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Echinococcus multilocularis survival motor neuron protein 1 0.0273 0.145 0.3737
Leishmania major DNA polymerase eta, putative 0.0048 0.0187 0.0512
Trypanosoma brucei cytochrome P450, putative 0.0043 0.0158 0.0414
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0555 0.3029 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.0071 0.0233
Onchocerca volvulus 0.0027 0.0071 0.1398
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0555 0.3029 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0138 0.0457
Brugia malayi Cation transporter family protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) hypothetical protein 0.0018 0.002 0.0065
Leishmania major guanine deaminase, putative 0.0024 0.0052 0.006
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0105 0.0505 0.1288
Schistosoma mansoni hypothetical protein 0.0018 0.002 0.0065
Echinococcus granulosus glycine receptor subunit beta 0.0027 0.0071 0.018
Brugia malayi CXXC zinc finger family protein 0.0033 0.0105 0.0347
Loa Loa (eye worm) hypothetical protein 0.0054 0.0219 0.0722
Brugia malayi Cation transporter family protein 0.0027 0.0071 0.0233
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) hypothetical protein 0.0048 0.0187 0.0618
Echinococcus multilocularis conserved hypothetical protein 0.0706 0.3879 1
Loa Loa (eye worm) hypothetical protein 0.017 0.0869 0.2869
Trichomonas vaginalis protein ssnA, putative 0.0024 0.0052 0.0424
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0027 0.0071 0.0233
Echinococcus multilocularis 0.0043 0.0158 0.0407
Schistosoma mansoni hypothetical protein 0.0197 0.1024 0.3382
Echinococcus granulosus dnaJ subfamily B 0.0476 0.2589 0.6605
Schistosoma mansoni hypothetical protein 0.0043 0.0158 0.0521
Toxoplasma gondii cytochrome p450 superfamily protein 0.0043 0.0158 0.0605
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0043 0.0158 0.0125
Brugia malayi hypothetical protein 0.0273 0.145 0.4785
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0105 0.0505 0.1301
Brugia malayi jmjC domain containing protein 0.0103 0.0493 0.1626
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0043 0.0158 0.0125
Mycobacterium ulcerans urease subunit gamma 0.0855 0.4714 0.4696
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0141 0.0465
Brugia malayi Bromodomain containing protein 0.0035 0.0116 0.0384
Brugia malayi Cation transporter family protein 0.0027 0.0071 0.0233
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0034 0.0737
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.0071 0.0233
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.017 0.0869 0.2869
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0071 0.0233
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.023 0.076
Schistosoma mansoni hypothetical protein 0.0018 0.002 0.0065
Trichomonas vaginalis protein ssnA, putative 0.0024 0.0052 0.0424
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.0071 0.0233
Echinococcus granulosus peregrin 0.0035 0.0116 0.0297
Brugia malayi cytochrome P450 0.0043 0.0158 0.0521
Schistosoma mansoni hypothetical protein 0.0197 0.1024 0.3382
Plasmodium falciparum phd finger protein, putative 0.0031 0.0093 0.0155
Schistosoma mansoni carbonic anhydrase-related 0.017 0.0869 0.2869
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0027 0.0071 0.018
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0043 0.0158 0.0125
Brugia malayi Latrophilin receptor protein 2 0.0018 0.002 0.0065
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0034 0.0087
Echinococcus granulosus cytochrome P450 2K1 0.0043 0.0158 0.0403
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0043 0.0158 0.0125
Trypanosoma brucei polo-like protein kinase 0.0097 0.0459 0.1419
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0196 0.05
Echinococcus multilocularis carbonic anhydrase 0.017 0.0869 0.2241
Schistosoma mansoni hypothetical protein 0.0476 0.2589 0.8547
Mycobacterium tuberculosis Conserved protein 0.0024 0.0052 0.0018
Echinococcus granulosus geminin 0.0197 0.1024 0.2613
Onchocerca volvulus 0.0057 0.0238 0.4716
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0027 0.0071 0.0182
Brugia malayi excitatory GABA receptor EXP-1A 0.0027 0.0071 0.0233
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0081 0.0157
Giardia lamblia PHD finger protein 15 0.0031 0.0093 0.1396
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.0459 0.1419
Echinococcus granulosus hypothetical protein 0.0714 0.392 1
Echinococcus granulosus cpg binding protein 0.0035 0.0116 0.0296
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0141 0.0465
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.002 0.0051
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0173 0.3269
Trichomonas vaginalis hypothetical protein 0.0024 0.0052 0.0424
Onchocerca volvulus 0.0027 0.0071 0.1398
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0043 0.0158 0.0414
Onchocerca volvulus 0.0056 0.023 0.4559
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0241 0.0794
Leishmania major cytochrome p450-like protein 0.0043 0.0158 0.0414
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.0459 0.1171
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 0.0864 0.2853
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0043 0.0158 0.0125
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0024 0.0052 0.0018
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.028 0.0925
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0027 0.0071 0.0182
Mycobacterium ulcerans imidazolonepropionase 0.0024 0.0052 0.0018
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Schistosoma mansoni carbonic anhydrase 0.017 0.0869 0.2869
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0027 0.0071 0.018
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0093 0.0096
Leishmania major carbonic anhydrase-like protein 0.0555 0.3029 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0043 0.0158 0.0125
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0093 0.0308
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0027 0.0071 0.0233
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0043 0.0158 0.0125
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0043 0.0158 0.0125
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0555 0.3029 1
Schistosoma mansoni hypothetical protein 0.0024 0.0052 0.0171
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0555 0.3029 1
Leishmania major hypothetical protein, conserved 0.0029 0.0081 0.0157
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0027 0.0071 0.0233
Trichomonas vaginalis guanine deaminase, putative 0.0024 0.0052 0.0424
Echinococcus granulosus glycine receptor subunit alpha 1 0.0027 0.0071 0.018
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0043 0.0158 0.0125
Schistosoma mansoni DNA polymerase eta 0.0048 0.0187 0.0618
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0043 0.0158 0.0125
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0027 0.0071 0.0182
Loa Loa (eye worm) amidohydrolase 0.0024 0.0052 0.0171
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0043 0.0158 0.0414
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0043 0.0158 0.0125
Echinococcus granulosus carbonic anhydrase 0.017 0.0869 0.2217
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0043 0.0158 0.0125
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Leishmania major DNA polymerase eta, putative 0.0034 0.0107 0.0245
Leishmania major cytochrome p450-like protein 0.0043 0.0158 0.0414
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.0459 0.1515
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0043 0.0158 0.0414
Schistosoma mansoni hypothetical protein 0.0024 0.0052 0.0171
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0186 0.357
Schistosoma mansoni carbonic anhydrase-related 0.017 0.0869 0.2869
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0043 0.0158 0.0125
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0555 0.3029 1
Wolbachia endosymbiont of Brugia malayi dihydroorotase, PyrC 0.0024 0.0052 0.5
Brugia malayi Cytochrome P450 family protein 0.0085 0.0392 0.1294
Trypanosoma cruzi guanine deaminase, putative 0.0024 0.0052 0.006
Loa Loa (eye worm) hypothetical protein 0.0058 0.0241 0.0794
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.0459 0.1515
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0081 0.2017
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0238 0.0786
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.002 0.0065
Echinococcus granulosus dihydropyrimidinase protein 4 0.0024 0.0052 0.0132
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0315 0.1041
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.017 0.0869 0.2869
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Schistosoma mansoni dihydropyrimidinase related protein-1 (M38 family) 0.0024 0.0052 0.0171
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0493 0.127
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0034 0.0086
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0141 0.0359
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0555 0.3029 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0093 0.024
Echinococcus multilocularis dihydropyrimidinase 0.0024 0.0052 0.0134
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 0.0864 0.2228
Schistosoma mansoni hypothetical protein 0.0018 0.002 0.0065
Loa Loa (eye worm) carbonic anhydrase 3 0.0555 0.3029 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0093 0.0308
Brugia malayi jmjC domain containing protein 0.004 0.0141 0.0465
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Onchocerca volvulus 0.0027 0.0071 0.1398
Schistosoma mansoni cytochrome P450 0.0043 0.0158 0.0521
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0027 0.0071 0.018
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0141 0.0465
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0105 0.0505 0.1288
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0093 0.0308
Schistosoma mansoni aspartate carbamoyltransferase 0.0024 0.0052 0.0171
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0043 0.0158 0.0125
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.002 0.005
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0043 0.0158 0.0125
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0027 0.0071 0.0233
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0196 0.3815
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) acetyltransferase 0.0169 0.0864 0.2853
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0027 0.0071 0.0233
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0043 0.0158 0.0125
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0043 0.0158 0.0125
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0158 0.0521
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0024 0.0052 0.0171
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0034 0.0112
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0034 0.0087
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0043 0.0158 0.0414
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0162 0.0417
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0241 0.0794
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0022 0.0071
Mycobacterium leprae Conserved hypothetical protein 0.0043 0.0158 1
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0186 0.357
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0173 0.1166
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0043 0.0158 0.0125
Toxoplasma gondii hypothetical protein 0.017 0.0869 0.619
Brugia malayi Amidohydrolase family protein 0.0024 0.0052 0.0171
Entamoeba histolytica D-hydantoinase, putative 0.0024 0.0052 0.1129
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.0071 0.0233
Echinococcus granulosus nAChR subunit 0.0027 0.0071 0.018
Loa Loa (eye worm) hypothetical protein 0.0105 0.0505 0.1666
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0071 0.0233
Echinococcus granulosus dna polymerase kappa 0.0021 0.0034 0.0086
Mycobacterium ulcerans n-acetylglucosamine-6-phosphate deacetylase NagA 0.0024 0.0052 0.0018
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0105 0.0505 0.1666
Onchocerca volvulus Putative nachr subunit 0.0105 0.0505 1
Echinococcus multilocularis imidazolonepropionase 0.0024 0.0052 0.0134
Loa Loa (eye worm) hypothetical protein 0.0057 0.0238 0.0786
Echinococcus granulosus histone acetyltransferase KAT2B 0.0164 0.0838 0.2137
Trypanosoma cruzi imidazolonepropionase, putative 0.0024 0.0052 0.006
Onchocerca volvulus 0.0027 0.0071 0.1398
Echinococcus multilocularis glycine receptor subunit beta 0.0027 0.0071 0.0182
Schistosoma mansoni hypothetical protein 0.0018 0.002 0.0065
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0027 0.0071 0.0233
Schistosoma mansoni hypothetical protein 0.0039 0.0138 0.0457
Echinococcus granulosus carbonic anhydrase 0.017 0.0869 0.2217
Onchocerca volvulus 0.0027 0.0071 0.1398
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0105 0.0505 0.1301
Mycobacterium tuberculosis Urease beta subunit UreB (urea amidohydrolase) 0.0855 0.4714 0.4696
Loa Loa (eye worm) cytochrome P450 0.0043 0.0158 0.0521
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.017 0.0869 0.2869
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0043 0.0158 0.0125
Echinococcus granulosus dihydropyrimidinase 0.0024 0.0052 0.0132
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0043 0.0158 0.0125
Loa Loa (eye worm) CYP4Cod1 0.0043 0.0158 0.0521
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0043 0.0158 0.0125
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0032 0.0107
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0027 0.0071 0.0233
Mycobacterium ulcerans hypothetical protein 0.0024 0.0052 0.0018
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0093 0.0238
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.0187 0.0512
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0196 1
Schistosoma mansoni cpg binding protein 0.0035 0.0116 0.0383
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0027 0.0071 0.0233
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0027 0.0071 0.0233
Brugia malayi Cytochrome P450 family protein 0.0043 0.0158 0.0521
Echinococcus granulosus dihydropyrimidinase 2 0.0024 0.0052 0.0132
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0196 0.0904
Echinococcus multilocularis carbonic anhydrase II 0.0555 0.3029 0.781
Echinococcus granulosus dna polymerase eta 0.0048 0.0187 0.0478
Echinococcus multilocularis peregrin 0.0035 0.0116 0.03
Echinococcus multilocularis glycine receptor subunit beta 0.0027 0.0071 0.0182
Brugia malayi hypothetical protein 0.0019 0.0023 0.0076
Trypanosoma brucei dihydroorotase, putative 0.0024 0.0052 0.006
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0027 0.0071 0.018
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0105 0.0505 0.1288
Mycobacterium ulcerans dihydroorotase 0.0024 0.0052 0.0018
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0027 0.0071 0.0233
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0027 0.0071 0.0233
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0071 0.0233
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0043 0.0158 0.0125
Loa Loa (eye worm) LGC-31 protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0158 0.0521
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0034 0.0112
Trypanosoma cruzi guanine deaminase, putative 0.0024 0.0052 0.006
Echinococcus multilocularis geminin 0.0197 0.1024 0.2641
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0256 0.1354 1
Echinococcus granulosus GPCR family 2 0.0018 0.002 0.005
Schistosoma mansoni hypothetical protein 0.0056 0.023 0.076
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0027 0.0071 0.0233
Brugia malayi acetyltransferase, GNAT family protein 0.0169 0.0864 0.2853
Schistosoma mansoni hypothetical protein 0.0031 0.0093 0.0308
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0093 0.2867
Mycobacterium ulcerans urease subunit beta UreB 0.0855 0.4714 0.4696
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.0459 0.1515
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0043 0.0158 0.0125
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0043 0.0158 0.0125
Brugia malayi PHD-finger family protein 0.0031 0.0093 0.0308
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.002 0.005
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.0071 0.0233
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.0187 0.0512
Echinococcus granulosus carbonic anhydrase II 0.0555 0.3029 0.7728
Loa Loa (eye worm) hypothetical protein 0.017 0.0869 0.2869
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0027 0.0071 0.0182
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.0459 0.9094
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.013 0.0335
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0196 0.3815
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0043 0.0158 0.0125
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0027 0.0071 0.0233
Onchocerca volvulus 0.0033 0.0105 0.2084
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0173 0.3765
Schistosoma mansoni kinase 0.0049 0.0193 0.0636
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0027 0.0071 0.018
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.002 0.0065
Echinococcus multilocularis carbonic anhydrase 0.017 0.0869 0.2241
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0196 0.0904
Brugia malayi Serotonin receptor 0.0478 0.2599 0.8581
Mycobacterium leprae putative cytochrome p450 0.0043 0.0158 1
Leishmania major N-acetylglucosamine-6-phosphate deacetylase-like protein 0.0024 0.0052 0.006
Schistosoma mansoni survival motor neuron protein 0.0056 0.023 0.076
Brugia malayi hypothetical protein 0.0029 0.0081 0.0267
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.017 0.0869 0.2869
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0043 0.0158 0.0125
Schistosoma mansoni hypothetical protein 0.017 0.0869 0.2869
Trichomonas vaginalis D-aminoacylase, putative 0.0024 0.0052 0.0424
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0107 0.0245
Echinococcus multilocularis nAChR subunit 0.0027 0.0071 0.0182
Loa Loa (eye worm) hypothetical protein 0.0029 0.0081 0.0267
Schistosoma mansoni dihydropyrimidinase related protein-2 (M38 family) 0.0024 0.0052 0.0171
Brugia malayi Cytochrome P450 family protein 0.0043 0.0158 0.0521
Trypanosoma cruzi dihydroorotase, putative 0.0024 0.0052 0.006
Trypanosoma brucei guanine deaminase, putative 0.0024 0.0052 0.006
Entamoeba histolytica guanine deaminase, putative 0.0024 0.0052 0.1129
Trypanosoma brucei guanine deaminase, putative 0.0024 0.0052 0.006
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0043 0.0158 0.0125
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0024 0.0052 0.0171
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0043 0.0158 0.0125
Schistosoma mansoni cpg binding protein 0.0035 0.0116 0.0383
Trypanosoma cruzi cytochrome P450, putative 0.0043 0.0158 0.0414
Leishmania major cytochrome p450-like protein 0.0043 0.0158 0.0414
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.0459 0.1183
Echinococcus multilocularis GPCR, family 2 0.0018 0.002 0.0051
Echinococcus granulosus glycine receptor subunit beta 0.0027 0.0071 0.018
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.0459 0.1419
Trypanosoma cruzi imidazolonepropionase, putative 0.0024 0.0052 0.006
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0027 0.0071 0.0182
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.0459 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.0071 0.0233
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0043 0.0158 0.0125
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Echinococcus multilocularis cpg binding protein 0.0035 0.0116 0.0299
Onchocerca volvulus Alhambra homolog 0.0031 0.0093 0.1846
Schistosoma mansoni carbonic anhydrase-related 0.017 0.0869 0.2869
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.0459 0.1419
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0241 0.0794
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0043 0.0158 0.0125
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Trichomonas vaginalis aminohydrolase, putative 0.0024 0.0052 0.0424
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0081 0.0157
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0043 0.0158 0.0125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.002 0.0051
Mycobacterium tuberculosis Urease gamma subunit UreA (urea amidohydrolase) 0.0855 0.4714 0.4696
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.0071 0.0233
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0043 0.0158 0.0125
Trypanosoma cruzi cytochrome P450, putative 0.0043 0.0158 0.0414
Loa Loa (eye worm) hypothetical protein 0.0039 0.0138 0.0457
Schistosoma mansoni nAChR subunit 0.0027 0.0071 0.0233
Trypanosoma brucei carbonic anhydrase-like protein 0.0555 0.3029 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.017 0.0869 0.2869
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) ACC-1 protein 0.0027 0.0071 0.0233
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0105 0.0505 0.1301
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0459 1
Echinococcus granulosus carbonic anhydrase 0.017 0.0869 0.2217
Loa Loa (eye worm) ACC-1 protein 0.0027 0.0071 0.0233
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0105 0.0347
Loa Loa (eye worm) hypothetical protein 0.0027 0.0071 0.0233
Schistosoma mansoni cpg binding protein 0.0033 0.0105 0.0347
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0093 0.0096
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0081 0.0157
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0374 0.1236
Echinococcus granulosus tumor protein p63 0.039 0.2107 0.5375
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0162 0.0413
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0043 0.0158 0.0125
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0027 0.0071 0.0182
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0027 0.0071 0.018
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0296 0.1691
Loa Loa (eye worm) hypothetical protein 0.0273 0.145 0.4785
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0043 0.0158 0.0125
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0027 0.0071 0.0182

Activities

Activity type Activity value Assay description Source Reference
Dose (ADMET) = 60 mg kg-1 Acute toxicity in mice after intravenous administration ChEMBL. No reference
ED50 (functional) < 0.02 mg kg-1 In vivo effective intraperitoneal dose to achieve least 50% survival in a mouse model of disseminated aspergillosis ChEMBL. No reference
ED50 (functional) < 0.02 mg kg-1 In vivo effective intraperitoneal dose to achieve least 50% survival in a mouse model of disseminated aspergillosis ChEMBL. No reference
ED99.9 (functional) = 0.09 mg kg-1 In vitro anti-candida activity expressed as ED99.9 in a mouse model of disseminated candidiasis (TOKA) ChEMBL. No reference
ED99.9 (functional) = 0.09 mg kg-1 In vitro anti-candida activity expressed as ED99.9 in a mouse model of disseminated candidiasis (TOKA) ChEMBL. No reference
IC50 (binding) = 3 nM Inhibition of 1,3-beta-glucan synthase ChEMBL. No reference
IC50 (binding) = 3 nM Inhibition of 1,3-beta-glucan synthase ChEMBL. No reference
MFC (functional) = 0.125 ug ml-1 Tested for minimum fungicidal concentration (MFC) against C. albicans (MY 1055) ChEMBL. No reference
MFC (functional) = 0.125 ug ml-1 Tested for minimum fungicidal concentration (MFC) against C. albicans (MY 1055) ChEMBL. No reference
Sterilized (functional) = 0 % Percentage of mice with complete eradication of candida in kidneys ChEMBL. No reference
Sterilized (functional) = 0 % Percentage of mice with complete eradication of candida in kidneys ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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