Detailed information for compound 1501705

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.534 | Formula: C22H27F3N4O4S
  • H donors: 0 H acceptors: 3 LogP: 2.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC1CCC(C1)Oc1c(cnn(c1=O)c1cc(F)cc(c1)F)N1CCN(CC1)S(=O)(=O)C(C)C
  • InChi: 1S/C22H27F3N4O4S/c1-14(2)34(31,32)28-7-5-27(6-8-28)20-13-26-29(18-10-16(24)9-17(25)11-18)22(30)21(20)33-19-4-3-15(23)12-19/h9-11,13-15,19H,3-8,12H2,1-2H3
  • InChiKey: WRTLWHJYYOYYFJ-UHFFFAOYSA-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 albicans beta-1,3-glucan synthase similar to S. cerevisiae GSC2 (YGR032W) and FKS1 (YLR342W) beta-1,3-glucan synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 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 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 N terminus of 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 similar to S. cerevisiae FKS3 (YMR306W) 1,3-beta 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
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 jmjC domain containing protein 0.0016 0.0046 0.0163
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0828 0.0786
Loa Loa (eye worm) RNA binding protein 0.0063 0.0642 0.2159
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0441 0.0397
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2809 0.2776
Loa Loa (eye worm) hypothetical protein 0.0018 0.0071 0.0092
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.1122 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0251 0.263
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0479 0.1423
Plasmodium falciparum glutathione reductase 0.0016 0.0054 0.0112
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0642 0.2159
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.1082 0.385
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0586 0.0542
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0828 0.5665
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0146 0.1185
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0059 0.0035
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0441 0.5055
Loa Loa (eye worm) hypothetical protein 0.0078 0.0828 0.2832
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0059 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0642 0.3528
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0251 0.0745
Plasmodium falciparum thioredoxin reductase 0.0047 0.0441 0.5055
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.03 0.0919
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.1082 0.1041
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0092 0.043
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0054 0.0032
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.12 0.8837
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0828 0.2601
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0187 0.0336
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0146 0.1185
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0071 0.0215
Echinococcus multilocularis protein dispatched 1 0.0048 0.0453 0.0409
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0054 0.0082
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0092 0.0167
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.1611 0.5662
Schistosoma mansoni survival motor neuron protein 0.0048 0.0453 0.2409
Brugia malayi hypothetical protein 0.0036 0.03 0.1067
Brugia malayi Pre-SET motif family protein 0.0224 0.2653 0.9442
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2809 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0146 0.0363
Onchocerca volvulus 0.0032 0.0251 0.0364
Entamoeba histolytica hypothetical protein 0.0036 0.03 0.1574
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0146 0.052
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0054 0.0194
Brugia malayi hypothetical protein 0.0237 0.2809 1
Plasmodium falciparum glutathione reductase 0.0047 0.0441 0.5055
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0054 0.0009
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.12 0.8837
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.1122 0.3371
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0251 0.1217
Echinococcus granulosus expressed conserved protein 0.0093 0.1007 0.3478
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0491 0.3369
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0828 0.2832
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0146 0.0934
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0586 0.3192
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0586 0.1953
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0642 0.3528
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0054 0.0112
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0441 0.1431
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0054 0.0112
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.1122 0.6362
Trypanosoma brucei polo-like protein kinase 0.0102 0.1122 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0251 0.0684
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.2653 0.9433
Brugia malayi Pre-SET motif family protein 0.0032 0.0251 0.0895
Schistosoma mansoni hypothetical protein 0.0041 0.0359 0.1853
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0187 0.1708
Mycobacterium tuberculosis Probable reductase 0.0108 0.12 0.8837
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0054 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0251 0.1217
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0378 0.1203
Brugia malayi Thioredoxin reductase 0.0047 0.0441 0.1571
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575
Brugia malayi jmjC domain containing protein 0.0059 0.0586 0.2084
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.1611 0.1572
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0187 0.1801
Plasmodium vivax glutathione reductase, putative 0.0047 0.0441 0.5055
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1101 0.6239
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.135 1
Entamoeba histolytica hypothetical protein 0.0036 0.03 0.1574
Schistosoma mansoni hypothetical protein 0.0036 0.03 0.1502
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0441 0.2985
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0642 0.2159
Plasmodium falciparum thioredoxin reductase 0.0016 0.0054 0.0112
Entamoeba histolytica hypothetical protein 0.0036 0.03 0.1574
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0054 0.0082
Brugia malayi glutathione reductase 0.0047 0.0441 0.1571
Brugia malayi jmjC domain containing protein 0.0059 0.0586 0.2084
Toxoplasma gondii thioredoxin reductase 0.0047 0.0441 0.1315
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0146 0.052
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0054 0.0082
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0642 0.3528
Leishmania major cytochrome p450-like protein 0.0019 0.0092 0.043
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0092 0.0167
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.135 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0497 0.1634
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0146 0.1185
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0071 0.0325
Loa Loa (eye worm) hypothetical protein 0.0018 0.0071 0.0092
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0054 0.0082
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0586 0.3192
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.12 0.8837
Echinococcus multilocularis expressed conserved protein 0.0093 0.1007 0.0966
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0237 0.0691
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0146 0.0707
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0146 0.052
Schistosoma mansoni patched 1 0.0042 0.0378 0.1966
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0146 0.1185
Mycobacterium ulcerans hypothetical protein 0.0024 0.0146 0.1185
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0187 0.1801
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1122 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0146 0.1185
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1122 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0054 0.0029
Trypanosoma brucei trypanothione reductase 0.0047 0.0441 0.3676
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0828 0.4627
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0586 0.0542
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0586 0.1953
Loa Loa (eye worm) hypothetical protein 0.0018 0.0071 0.0092
Toxoplasma gondii hypothetical protein 0.0027 0.0187 0.0468
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0251 0.1217
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0586 0.1953
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0251 0.1217
Echinococcus multilocularis protein patched 0.0042 0.0378 0.0334
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.12 0.8837
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.1082 0.3749
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0491 0.2864
Schistosoma mansoni hypothetical protein 0.0041 0.0359 0.1853
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0092 0.0167
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0092 0.043
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0092 0.043
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0441 0.3676
Loa Loa (eye worm) hypothetical protein 0.0098 0.1082 0.3749
Giardia lamblia Kinase, PLK 0.0102 0.1122 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0491 0.0447
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0251 0.0207
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.1122 0.3993
Schistosoma mansoni hypothetical protein 0.0041 0.0359 0.1853
Loa Loa (eye worm) hypothetical protein 0.0032 0.0251 0.0745
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0146 0.1185
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.12 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0441 0.1431
Trichomonas vaginalis set domain proteins, putative 0.0255 0.304 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.03 0.0255
Loa Loa (eye worm) hypothetical protein 0.0237 0.2809 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.03 0.1502
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0642 0.0599
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0586 0.3192
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0071 0.0215
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0251 0.0207
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0256 0.3055 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0054 0.0082
Brugia malayi jmjC domain containing protein 0.0016 0.0046 0.0163
Onchocerca volvulus 0.0255 0.304 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0054 0.0112
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.1122 0.3894
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.135 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0092 0.0484
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0378 0.1203
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0146 0.0934
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0054 0.0082
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0828 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.1122 0.3894
Leishmania major trypanothione reductase 0.0047 0.0441 0.3676
Brugia malayi jmjC domain containing protein 0.0016 0.0046 0.0163
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0059 0.0035
Loa Loa (eye worm) hypothetical protein 0.0024 0.0146 0.0363
Entamoeba histolytica hypothetical protein 0.0036 0.03 0.1574
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0378 0.1203
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0054 0.0112
Brugia malayi Cytochrome P450 family protein 0.0019 0.0092 0.0327
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575
Schistosoma mansoni kinase 0.0052 0.0496 0.2663
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.135 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0828 0.2601
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0642 0.3528
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0642 0.3528
Loa Loa (eye worm) glutathione reductase 0.0047 0.0441 0.1431
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0146 0.0934
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0071 0.0325
Loa Loa (eye worm) hypothetical protein 0.0024 0.0146 0.0363
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0146 0.1185
Loa Loa (eye worm) hypothetical protein 0.0018 0.0071 0.0092
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0491 0.3369
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0054 0.0082
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0071 0.0092
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.12 0.8749
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0378 0.1084
Brugia malayi Probable ClpP-like protease 0.0078 0.0828 0.2948
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.1122 0.1081
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0071 0.0128
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.1122 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0491 0.1611
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0059 0.0035
Schistosoma mansoni hypothetical protein 0.0041 0.0359 0.1853
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0453 0.1613
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0642 0.2286
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0828 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0054 0.0082
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0054 0.0052
Onchocerca volvulus 0.0048 0.0453 0.1061
Brugia malayi TAR-binding protein 0.0063 0.0642 0.2286
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.1082 0.959
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0479 0.1423
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0146 0.0707
Brugia malayi jmjC domain containing protein 0.0016 0.0046 0.0163
Brugia malayi RNA binding protein 0.0063 0.0642 0.2286
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575
Schistosoma mansoni hypothetical protein 0.0048 0.0453 0.2409
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Loa Loa (eye worm) hypothetical protein 0.0042 0.0378 0.1203
Brugia malayi CHE-14 protein 0.0042 0.0378 0.1346
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0054 0.0029
Brugia malayi Cytochrome P450 family protein 0.0019 0.0092 0.0327
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0054 0.0082
Echinococcus granulosus tar DNA binding protein 0.0063 0.0642 0.2159
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0378 0.0334
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1122 0.3575

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 1 uL/min Clearance in human hepatocytes measured per molar mass of cells ChEMBL. 21316223
IC50 (binding) = 0.62 ug ml-1 Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase ChEMBL. 21316223
Inhibition (ADMET) Inhibition of CYP2C9 at 30 uM ChEMBL. 21316223
Inhibition (ADMET) Inhibition of CYP2D6 at 30 uM ChEMBL. 21316223
Inhibition (ADMET) Inhibition of CYP3A4 at 30 uM ChEMBL. 21316223
Inhibition (binding) = 22 % Inhibition of human ERG at 1 uM by patch clamp assay ChEMBL. 21316223
MIC100 (functional) = 6.3 ug ml-1 Antifungal activity against Candida albicans C693 by broth dilution method ChEMBL. 21316223

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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