Detailed information for compound 1683183

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 499.432 | Formula: C26H28Cl2N4O2
  • H donors: 2 H acceptors: 2 LogP: 4.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1(CC1)c1ccc(cc1Cl)Cl
  • InChi: 1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)
  • InChiKey: WFRXEZYSVYRRFE-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
Homo sapiens UDP-glucose ceramide glucosyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Ceramide glucosyltransferase homolog Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma japonicum Ceramide glucosyltransferase, putative Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma japonicum ko:K00720 ceramide glucosyltransferase [EC2.4.1.80], putative Get druggable targets OG5_129848 All targets in OG5_129848
Brugia malayi Ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma mansoni ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Candida albicans ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Candida albicans ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Echinococcus multilocularis ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Echinococcus granulosus ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Loa Loa (eye worm) ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
Schistosoma mansoni ceramide glucosyltransferase Get druggable targets OG5_129848 All targets in OG5_129848
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax multidrug resistance protein 1, putative 0.0023 0.0373 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0007 0.0006 0.0006
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0373 0.0597
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0427 0.0652
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0011 0.0133
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0023 0.0373 0.8717
Brugia malayi CXXC zinc finger family protein 0.0031 0.0552 0.0841
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0007 0.0006 0.5
Brugia malayi multidrug resistance protein 3 0.0023 0.0373 0.0569
Loa Loa (eye worm) hypothetical protein 0.0055 0.1124 0.1714
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Schistosoma mansoni multidrug resistance protein 0.0023 0.0373 0.0373
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Trichomonas vaginalis taga, putative 0.0023 0.0373 0.0597
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0373 0.0373
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0007 0.0011 0.0133
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0368 0.0362
Echinococcus granulosus cpg binding protein 0.0032 0.0593 0.0593
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0185 0.0282
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0275 0.6254 0.9535
Loa Loa (eye worm) hypothetical protein 0.0023 0.0373 0.0569
Loa Loa (eye worm) ABC transporter 0.0007 0.0006 0.0009
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.3334 0.333
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0016 0.0016
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0011 0.0312
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0011 0.0133
Schistosoma mansoni hypothetical protein 0.0043 0.085 0.085
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0007 0.0011 0.0133
Entamoeba histolytica P-glycoprotein 6, putative 0.0007 0.0006 0.0026
Onchocerca volvulus Glucosylceramidase homolog 0.018 0.4048 0.6165
Schistosoma mansoni cpg binding protein 0.0031 0.0552 0.0552
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0011 0.0018
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0009
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0427 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.355 0.5411
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0552 0.0841
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0279 0.6469
Echinococcus multilocularis protein patched 0.0045 0.0888 0.0883
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0007 0.0006 0.0009
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0011 0.0006
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.6254 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0011 0.0312
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0427 1
Schistosoma mansoni cpg binding protein 0.0032 0.0593 0.0593
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0373 0.0368
Schistosoma mansoni hypothetical protein 0.0043 0.085 0.085
Brugia malayi Ceramide glucosyltransferase 0.0288 0.656 1
Loa Loa (eye worm) ABC transporter 0.0007 0.0006 0.0009
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0007 0.0011 0.005
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0007 0.0011 0.0133
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0011 0.0011
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0011 0.0133
Schistosoma mansoni hypothetical protein 0.0043 0.085 0.085
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0016 0.001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0255 0.5899
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0185 0.0282
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.2284 0.3482
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0373 0.0373
Entamoeba histolytica P-glycoprotein 5, putative 0.0023 0.0373 0.1634
Loa Loa (eye worm) multidrug resistance protein 3 0.0023 0.0373 0.0569
Entamoeba histolytica P-glycoprotein 6, putative 0.0007 0.0006 0.0026
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0011 0.0133
Schistosoma mansoni multidrug resistance protein 0.0007 0.0006 0.0006
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0006 0.0026
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Loa Loa (eye worm) hypothetical protein 0.0159 0.355 0.5411
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0425
Schistosoma mansoni hypothetical protein 0.0436 1 1
Trichomonas vaginalis abcb9, putative 0.0023 0.0373 0.0597
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Echinococcus multilocularis muscleblind protein 1 0.0159 0.355 0.3546
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0373 0.0373
Echinococcus granulosus geminin 0.018 0.4048 0.4048
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0016 0.0016
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0007 0.0011 0.0133
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0016 0.0212 0.0339
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0023 0.0373 0.0597
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0888 0.0883
Echinococcus multilocularis multidrug resistance protein 1 0.0016 0.0212 0.0206
Schistosoma mansoni hypothetical protein 0.018 0.4048 0.4048
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.6254 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0427 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0888 0.1354
Loa Loa (eye worm) hypothetical protein 0.0025 0.0427 0.0652
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0023 0.0373 0.3103
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0427 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0011 0.0017
Loa Loa (eye worm) hypothetical protein 0.0025 0.0427 0.0652
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0373 0.3103
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.2284 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0011 0.0133
Echinococcus multilocularis ceramide glucosyltransferase 0.0288 0.656 0.6558
Echinococcus granulosus tumor protein p63 0.036 0.8233 0.8233
Brugia malayi ABC transporter family protein 0.0023 0.0373 0.0569
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.119 1
Onchocerca volvulus 0.0025 0.0427 0.0635
Echinococcus multilocularis tumor protein p63 0.036 0.8233 0.8232
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.2322 0.2322
Echinococcus multilocularis expressed conserved protein 0.0098 0.2136 0.2131
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0185 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0255 0.5899
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Mycobacterium ulcerans hypothetical protein 0.0025 0.0427 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0373 0.0373
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0006 0.0026
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0373 0.0368
Echinococcus multilocularis dnaJ subfamily B 0.0436 1 1
Echinococcus multilocularis protein dispatched 1 0.0051 0.1036 0.1031
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0011 0.0133
Echinococcus granulosus ATP binding cassette sub family B 0.0007 0.0006 0.0006
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0011 0.0017
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0373 0.0597
Loa Loa (eye worm) hypothetical protein 0.0023 0.0373 0.0569
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0373 0.0368
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0373 0.0373
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0011 0.0133
Brugia malayi CHE-14 protein 0.0045 0.0888 0.1354
Brugia malayi ABC transporter family protein 0.0007 0.0006 0.0009
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0373 0.0373
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Schistosoma mansoni multidrug resistance protein 0.0007 0.0006 0.0006
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0373 0.0597
Onchocerca volvulus 0.0053 0.1067 0.1612
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0011 0.0133
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0373 0.0597
Onchocerca volvulus 0.0023 0.0373 0.0553
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.1067 0.1067
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0011 0.0152
Brugia malayi Cytochrome P450 family protein 0.0015 0.0185 0.0282
Brugia malayi ABC transporter 0.0007 0.0006 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0427 0.0652
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0007 0.0011 0.0133
Trichomonas vaginalis abcb9, putative 0.0023 0.0373 0.0597
Giardia lamblia Ceramide glucosyltransferase 0.0131 0.2885 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0011 0.0017
Loa Loa (eye worm) hypothetical protein 0.0053 0.1067 0.1627
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0016 0.0016
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0185 0.0282
Echinococcus granulosus muscleblind protein 0.0159 0.355 0.355
Schistosoma mansoni multidrug resistance protein 0.0007 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0425
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0425
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0011 0.0017
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0279 0.6469
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.009
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0373 0.0373
Brugia malayi ABC transporter family protein 0.0007 0.0006 0.0009
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.2284 0.2284
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0011 0.0312
Brugia malayi Muscleblind-like protein 0.0159 0.355 0.5411
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0056 0.0086
Giardia lamblia ABC transporter, putative 0.0007 0.0006 0.002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0425
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.6254 1
Loa Loa (eye worm) oxidoreductase 0.0007 0.0011 0.0017
Schistosoma mansoni smdr1 0.0007 0.0006 0.0006
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0427 0.1871
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0007 0.0006 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Schistosoma mansoni multidrug resistance protein 0.0007 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0007 0.0011 0.0017
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0011 0.0312
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0023 0.0373 0.8717
Entamoeba histolytica P-glycoprotein-2 0.0023 0.0373 0.1634
Loa Loa (eye worm) ABC transporter 0.0007 0.0006 0.0009
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.6254 1
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0185 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0011 0.0312
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Entamoeba histolytica P-glycoprotein-5 0.0023 0.0373 0.1634
Entamoeba histolytica hypothetical protein 0.0007 0.0006 0.0026
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0011 0.0017
Echinococcus granulosus ATP binding cassette sub family B 0.0007 0.0006 0.0006
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0023 0.0373 0.0569
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0011 0.0133
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0427 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0023 0.0368 0.0368
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Brugia malayi ABC transporter transmembrane region family protein 0.0007 0.0006 0.0009
Schistosoma mansoni cpg binding protein 0.0032 0.0593 0.0593
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Echinococcus granulosus multidrug resistance associated protein 7 0.0007 0.0006 0.0006
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.4275 0.6835
Echinococcus granulosus ceramide glucosyltransferase 0.0288 0.656 0.656
Entamoeba histolytica P-glycoprotein-2 0.0023 0.0373 0.1634
Brugia malayi multidrug resistance related protein 1 0.0007 0.0006 0.0009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0427 0.1871
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0006 0.0026
Entamoeba histolytica ATP-binding cassette protein, putative 0.0007 0.0006 0.0026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1352 0.1352
Leishmania major cytochrome p450-like protein 0.0015 0.0185 0.4251
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0427 1
Brugia malayi ABC transporter transmembrane region family protein 0.0007 0.0006 0.0009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0255 0.5899
Giardia lamblia Multidrug resistance-associated protein 1 0.0007 0.0006 0.002
Brugia malayi Cytochrome P450 family protein 0.0015 0.0185 0.0282
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0427 1
Echinococcus granulosus expressed conserved protein 0.0098 0.2136 0.2136
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0373 0.0368
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0427 1
Echinococcus multilocularis muscleblind protein 0.0159 0.355 0.3546
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0185 0.4251
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0011 0.0047
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0888 0.1354
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0011 0.0152
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0373 0.0368
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0255 0.5899
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0007 0.0011 0.0133
Loa Loa (eye worm) hypothetical protein 0.0007 0.0011 0.0017
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0007 0.0011 0.0133
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.6254 1
Echinococcus multilocularis geminin 0.018 0.4048 0.4045
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0011 0.0018
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0427 0.1871
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0427 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0053
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0011 0.0017
Giardia lamblia MRP-like ABC transporter 0.0007 0.0006 0.002
Loa Loa (eye worm) hypothetical protein 0.0025 0.0427 0.0652
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0011 0.0133
Loa Loa (eye worm) hypothetical protein 0.0011 0.0085 0.013
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0009
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0373 0.0597
Entamoeba histolytica ABC transporter, putative 0.0007 0.0006 0.0026
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0011 0.0017
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0011 0.0011
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0016 0.001
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0373 0.0597
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0059
Echinococcus granulosus multidrug resistance protein 1 0.0016 0.0212 0.0212
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0007 0.0006 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0425
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0373 0.0597
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0023 0.0373 0.0597
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.3334 0.3334
Schistosoma mansoni smdr2 0.0023 0.0373 0.0373
Echinococcus granulosus multidrug resistance protein 1 0.0016 0.0212 0.0212
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.6254 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0011 0.0133
Entamoeba histolytica P-glycoprotein-1 0.0023 0.0373 0.1634
Loa Loa (eye worm) ceramide glucosyltransferase 0.0288 0.656 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0427 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0011 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0427 1
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0279 0.7421
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0007 0.0011 0.0133
Echinococcus granulosus multidrug resistance associated protein 1 0.0007 0.0006 0.0006
Leishmania major p-glycoprotein 0.0023 0.0373 0.8717
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0011 0.0133
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0888 0.0888
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0007 0.0006 0.0009
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0023 0.0373 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0007 0.0011 0.0133
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Brugia malayi P-glycoprotein-like protein 0.0007 0.0006 0.0009
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0011 0.0133
Brugia malayi hypothetical protein 0.0007 0.0006 0.0009
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0373 0.0368
Mycobacterium ulcerans acetyl-CoA synthetase 0.0007 0.0011 0.0133
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0373 0.0368
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0275 0.6254 0.9535
Onchocerca volvulus 0.0031 0.0552 0.0825
Loa Loa (eye worm) hypothetical protein 0.0105 0.2284 0.3482
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0185 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0373 0.0597
Schistosoma mansoni hypothetical protein 0.018 0.4048 0.4048
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0011 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0427 1
Entamoeba histolytica multidrug resistance protein, putative 0.0007 0.0006 0.0026
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.4275 0.6835
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0427 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0007 0.0011 0.0133
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0373 0.0597
Schistosoma mansoni ceramide glucosyltransferase 0.0288 0.656 0.656
Schistosoma mansoni patched 1 0.0045 0.0888 0.0888
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0888 0.142
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0373 0.0597
Plasmodium falciparum multidrug resistance protein 1 0.0023 0.0373 1
Schistosoma mansoni multidrug resistance protein 0.0023 0.0373 0.0373
Schistosoma mansoni ceramide glucosyltransferase 0.0288 0.656 0.656
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0888 0.0888
Entamoeba histolytica P-glycoprotein-2, putative 0.0023 0.0373 0.1634
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0011 0.0133
Schistosoma mansoni multidrug resistance protein 0.0007 0.0006 0.0006
Giardia lamblia Multidrug resistance-associated protein 1 0.0007 0.0006 0.002
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.2284 0.228
Brugia malayi ABC transporter family protein 0.0007 0.0006 0.0009
Schistosoma mansoni hypothetical protein 0.0043 0.085 0.085
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0373 0.0597
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.4048 0.6472
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0011 0.0133
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0007 0.0011 0.0133
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0427 0.0652
Trichomonas vaginalis abcb9, putative 0.0023 0.0373 0.0597
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0011 0.0312
Loa Loa (eye worm) hypothetical protein 0.0023 0.0368 0.056
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0011 0.0017
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0288 0.656 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0279 0.7421
Schistosoma mansoni multidrug resistance protein 0.0023 0.0373 0.0373
Echinococcus multilocularis cpg binding protein 0.0032 0.0593 0.0587
Entamoeba histolytica P-glyco protein 6, putative 0.0023 0.0373 0.1634
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0427 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis ChEMBL. 22497444

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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