Detailed information for compound 401408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1122.26 | Formula: C52H83N9O18
  • H donors: 16 H acceptors: 18 LogP: -0.37 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCC(CC(CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C2)O)[C@H]([C@@H](c1ccc(c(c1)NC(=O)C)O)O)O)[C@H](CC(=O)N)O)C)C
  • InChi: 1S/C52H83N9O18/c1-6-25(2)19-26(3)13-11-9-7-8-10-12-14-39(70)55-32-22-37(68)48(75)59-50(77)43-35(66)17-18-60(43)52(79)41(36(67)23-38(53)69)57-49(76)42(45(72)44(71)29-15-16-34(65)31(20-29)54-28(5)63)58-47(74)33-21-30(64)24-61(33)51(78)40(27(4)62)56-46(32)73/h15-16,20,25-27,30,32-33,35-37,40-45,48,62,64-68,71-72,75H,6-14,17-19,21-24H2,1-5H3,(H2,53,69)(H,54,63)(H,55,70)(H,56,73)(H,57,76)(H,58,74)(H,59,77)/t25?,26?,27-,30-,32-,33+,35+,36+,37-,40+,41+,42+,43+,44-,45-,48-/m1/s1
  • InChiKey: XRNDGTRTKPYKPG-CEXKYUCZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae 1,3-beta-glucan synthase GSC2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Toxoplasma gondii 1,3-beta-glucan synthase component protein Get druggable targets OG5_127693 All targets in OG5_127693
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 N terminus of 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
Neospora caninum hypothetical protein 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
Candida albicans C 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 multilocularis geminin 0.0194 0.027 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0077 0.0067 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0077 0.0067 0.0063
Giardia lamblia Phosphatidylinositol 4-kinase 0.0077 0.0067 0.0491
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0077 0.0067 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Toxoplasma gondii FATC domain-containing protein 0.0227 0.0328 0.4601
Loa Loa (eye worm) phosphatidylinositol 3 0.0403 0.0634 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.0373 0.5886
Schistosoma mansoni hypothetical protein 0.0077 0.0067 0.1058
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0227 0.0328 0.5143
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0403 0.0634 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0077 0.0067 0.1058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0067 0.0491
Echinococcus granulosus equilibrative nucleoside transporter 0.0061 0.0038 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.578 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0038 0.0597
Entamoeba histolytica heat shock transcription factor, putative 0.0113 0.013 0.1999
Echinococcus multilocularis 0.0077 0.0067 0.0063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0031 0.0496
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0067 0.1058
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.017 0.2683
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0403 0.0634 0.063
Echinococcus multilocularis Zinc finger, PHD finger 0.0077 0.0067 0.0063
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0403 0.0634 0.1609
Schistosoma mansoni hypothetical protein 0.0194 0.027 0.4258
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.0067 0.0063
Loa Loa (eye worm) hypothetical protein 0.0187 0.0257 0.4061
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0403 0.0634 0.1609
Loa Loa (eye worm) hypothetical protein 0.0061 0.0038 0.0597
Brugia malayi FAT domain containing protein 0.0176 0.0238 0.3756
Brugia malayi HSF-type DNA-binding domain containing protein 0.0113 0.013 0.2047
Loa Loa (eye worm) phosphatidylinositol 3 0.0077 0.0067 0.1058
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0031 0.0496
Echinococcus granulosus single minded 2 0.0041 0.0004 0.0000053717
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0077 0.0067 0.1005
Trypanosoma cruzi target of rapamycin kinase 3 0.0403 0.0634 0.1673
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0077 0.0067 0.0063
Loa Loa (eye worm) phosphatidylinositol 3 0.0077 0.0067 0.1058
Loa Loa (eye worm) hypothetical protein 0.0113 0.013 0.2047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0061 0.0038 0.0034
Brugia malayi bHLH-PAS transcription factor 0.0041 0.0004 0.0061
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0403 0.0634 0.063
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0227 0.0328 0.5172
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0077 0.0067 0.1005
Loa Loa (eye worm) hypoxia-induced factor 1 0.0172 0.0232 0.3664
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0403 0.0634 0.1609
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0227 0.0328 0.5172
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0077 0.0067 0.0491
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.015 0.0193 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0077 0.0067 0.0491
Entamoeba histolytica hypothetical protein 0.0077 0.0067 0.1005
Loa Loa (eye worm) hypothetical protein 0.0227 0.0328 0.5172
Giardia lamblia Hypothetical protein 0.0077 0.0067 0.0491
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0077 0.0067 0.0491
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0403 0.0634 0.1609
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0077 0.0067 0.1058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0067 0.1058
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0403 0.0634 0.063
Echinococcus multilocularis serine protein kinase ATM 0.0227 0.0328 0.0324
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0061 0.0038 0.2701
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0403 0.0634 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0227 0.0328 0.0324
Entamoeba histolytica hypothetical protein 0.0077 0.0067 0.1005
Trichomonas vaginalis conserved hypothetical protein 0.0176 0.0238 0.3359
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0403 0.0634 0.1673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0077 0.0067 0.0063
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0077 0.0067 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0077 0.0067 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0077 0.0067 0.1058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0077 0.0067 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Brugia malayi MH2 domain containing protein 0.0137 0.017 0.2683
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0077 0.0067 0.1058
Entamoeba histolytica heat shock transcription factor, putative 0.0113 0.013 0.1999
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0403 0.0634 1
Onchocerca volvulus 0.0077 0.0067 0.5023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0067 0.1058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Mycobacterium ulcerans putative regulatory protein 0.0041 0.0004 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0077 0.0067 0.0491
Loa Loa (eye worm) phosphatidylinositol 3 0.0077 0.0067 0.1058
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0077 0.0067 0.0063
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0067 0.1058
Giardia lamblia GTOR 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0077 0.0067 0.1058
Trypanosoma cruzi hypothetical protein, conserved 0.2022 0.3453 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0077 0.0067 0.0491
Toxoplasma gondii target of rapamycin (TOR), putative 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0077 0.0067 0.5
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.0061 0.0038 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0113 0.013 1
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0077 0.0067 0.5
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0077 0.0067 0.1058
Entamoeba histolytica nucleoside transporter, putative 0.0061 0.0038 0.054
Echinococcus granulosus serine protein kinase ATM 0.0227 0.0328 0.0324
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0403 0.0634 0.1673
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0176 0.0238 0.0234
Brugia malayi hypothetical protein 0.0187 0.0257 0.4061
Brugia malayi hypothetical protein 0.0041 0.0004 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.0373 0.5625
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0077 0.0067 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0403 0.0634 0.1673
Entamoeba histolytica hypothetical protein 0.0077 0.0067 0.1005
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0077 0.0067 0.5
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0253 0.0373 0.5399
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0403 0.0634 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0077 0.0067 0.5
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0077 0.0067 0.0063
Schistosoma mansoni hypothetical protein 0.0176 0.0238 0.3756
Leishmania major hypothetical protein, conserved 0.2099 0.3588 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0077 0.0067 0.1058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0067 0.1058
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0077 0.0067 0.0491
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0256 0.0378 0.5493
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Onchocerca volvulus 0.0077 0.0067 0.5023
Schistosoma mansoni hypothetical protein 0.0194 0.027 0.4258
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0077 0.0067 0.1058
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0403 0.0634 1
Entamoeba histolytica heat shock transcription factor, putative 0.0113 0.013 0.1999
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0176 0.0238 0.0234
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0077 0.0067 0.0491
Schistosoma mansoni single-minded 0.0056 0.0029 0.0458
Leishmania major phosphatidylinositol 3-kinase, putative 0.0403 0.0634 0.1609
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0077 0.0067 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0077 0.0067 0.0491
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0403 0.0634 1
Plasmodium vivax hypothetical protein 0.0077 0.0067 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0077 0.0067 0.1005
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0227 0.0328 0.0324
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0077 0.0067 0.1005
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0227 0.0328 0.5172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0067 0.0491
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0253 0.0373 0.5399
Brugia malayi hypoxia-induced factor 1 0.0172 0.0232 0.3664
Loa Loa (eye worm) phosphatidylinositol 3 0.0077 0.0067 0.1058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0077 0.0067 0.1058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0031 0.0496
Loa Loa (eye worm) phosphatidylinositol 3 0.0403 0.0634 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0227 0.0328 0.4601
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0077 0.0067 0.0063
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.005 0.0019 0.0016
Schistosoma mansoni aryl hydrocarbon receptor 0.0056 0.0029 0.0458
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0077 0.0067 0.1005
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0077 0.0067 0.0491
Echinococcus granulosus equilibrative nucleoside transporter 3 0.0061 0.0038 0.0034
Loa Loa (eye worm) hypothetical protein 0.015 0.0193 0.3042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Brugia malayi Nucleoside transporter family protein 0.0061 0.0038 0.0597
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0496
Schistosoma mansoni fkbp-rapamycin associated protein 0.0227 0.0328 0.5172
Schistosoma mansoni hypothetical protein 0.0041 0.0004 0.006
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0403 0.0634 1
Echinococcus granulosus geminin 0.0194 0.027 0.0266
Entamoeba histolytica hypothetical protein 0.0077 0.0067 0.1005
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0077 0.0067 0.1005
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0061 0.0038 0.2701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0403 0.0634 0.063
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0077 0.0067 0.0063
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0077 0.0067 0.0063
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0067 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0004 0.006
Loa Loa (eye worm) hypothetical protein 0.0077 0.0067 0.1058
Trichomonas vaginalis conserved hypothetical protein 0.015 0.0193 0.2601
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0077 0.0067 0.1058
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0077 0.0067 0.0491
Entamoeba histolytica hypothetical protein 0.0227 0.0328 0.5143
Brugia malayi PAS domain containing protein 0.0056 0.0029 0.0458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0328 0.4866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0077 0.0067 0.1005
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0227 0.0328 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trichomonas vaginalis conserved hypothetical protein 0.0253 0.0373 0.5625
Echinococcus multilocularis transfer RNA-Lys 0.0041 0.0004 0.0000053717
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.017 0.2683
Loa Loa (eye worm) hypothetical protein 0.0061 0.0038 0.0597
Loa Loa (eye worm) hypothetical protein 0.0176 0.0238 0.3756
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0077 0.0067 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0193 0.2601
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0077 0.0067 0.1005
Entamoeba histolytica protein kinase rad3, putative 0.0227 0.0328 0.5143
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0077 0.0067 0.1058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0067 0.1058
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0077 0.0067 0.1058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0227 0.0328 0.077
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0403 0.0634 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0077 0.0067 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0067 0.0491
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0077 0.0067 0.0063
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0077 0.0067 0.0491
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0077 0.0067 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0403 0.0634 1
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0067 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0403 0.0634 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0403 0.0634 0.1673
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0403 0.0634 1
Brugia malayi hypothetical protein 0.0061 0.0038 0.0597

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.09 uM In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. ChEMBL. No reference
IC50 (binding) = 0.09 uM In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. ChEMBL. No reference
MFC (functional) = 1 ug ml-1 In vitro minimum fungicidal concentration against Candida albicans (MY 1055) using a whole cell broth microdilution assay. ChEMBL. No reference
MFC (functional) = 1 ug ml-1 In vitro minimum fungicidal concentration against Candida albicans (MY 1055) using a whole cell broth microdilution assay. 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.
 
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

No literature references available for this target.

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