Detailed information for compound 340602

Basic information

Technical information
  • TDR Targets ID: 340602
  • Name: methyl (2S,6aR,7R,9S,10bR)-9-carbamoyloxy-2-f uran-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6 ,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7 -carboxylate
  • MW: 433.452 | Formula: C22H27NO8
  • H donors: 1 H acceptors: 4 LogP: 1.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H]1C[C@@H](OC(=O)N)C(=O)C2[C@@]1(C)CCC1[C@]2(C)C[C@@H](OC1=O)c1cocc1
  • InChi: 1S/C22H27NO8/c1-21-6-4-12-19(26)30-15(11-5-7-29-10-11)9-22(12,2)17(21)16(24)14(31-20(23)27)8-13(21)18(25)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H2,23,27)/t12?,13-,14-,15-,17?,21-,22-/m0/s1
  • InChiKey: FHTGZEVOZWRYEL-DSEJECNASA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (2S,6aR,7R,9S,10bR)-9-carbamoyloxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
  • (2S,6aR,7R,9S,10bR)-9-carbamoyloxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
  • methyl (2S,6aR,7R,9S,10bR)-9-aminocarbonyloxy-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
  • (2S,6aR,7R,9S,10bR)-9-carbamoyloxy-2-(3-furyl)-4,10-diketo-6a,10b-dimethyl-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid methyl ester
  • (2S,6aR,7R,9S,10bR)-9-carbamoyloxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid methyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Importin beta-1 subunit 0.0028 0.0362 0.0268
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0171 0.0171
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7516 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0193 0.0091
Schistosoma mansoni tankyrase 0.0022 0.017 0.017
Entamoeba histolytica hypothetical protein 0.0022 0.017 0.005
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0165 0.4666 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0362 0.052
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0171 0.0171
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.1749 0.1843
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0138 0.0132
Leishmania major importin beta-1 subunit, putative 0.0023 0.0193 0.0412
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.1749 1
Schistosoma mansoni hypothetical protein 0.0335 1 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0193 0.0091
Echinococcus granulosus poly (ADP ribose) polymerase 0.0047 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.0054 0.1172 0.1283
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.1056 0.1056
Echinococcus granulosus poly (ADP ribose) polymerase 0.0093 0.2407 0.2407
Onchocerca volvulus 0.0072 0.1749 0.2342
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0138 0.0073
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Echinococcus granulosus snurportin 1 0.0303 0.9008 0.9008
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0256 0.7516 0.834
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Brugia malayi WGR domain containing protein 0.0301 0.8928 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.0165 0.4666 1
Schistosoma mansoni importin beta-1 0.0028 0.0362 0.0362
Entamoeba histolytica hypothetical protein 0.0047 0.0938 0.0922
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0138 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1259
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0132
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0138 0.0013
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0126 0.0126
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Loa Loa (eye worm) hypothetical protein 0.0047 0.0951 0.1037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0951 0.0951
Brugia malayi MAP kinase sur-1 0.005 0.1056 0.1057
Loa Loa (eye worm) hypothetical protein 0.0038 0.0664 0.0718
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0951 0.0951
Brugia malayi Bromodomain containing protein 0.0074 0.1806 0.1908
Loa Loa (eye worm) hypothetical protein 0.0072 0.1749 0.1924
Brugia malayi AMP-binding enzyme family protein 0.0072 0.1749 0.1843
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.1749 1
Entamoeba histolytica hypothetical protein 0.0023 0.0193 0.0076
Loa Loa (eye worm) hypothetical protein 0.0054 0.1172 0.1283
Loa Loa (eye worm) hypothetical protein 0.0054 0.1172 0.1283
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1259
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Plasmodium falciparum importin beta, putative 0.0028 0.0362 0.2255
Onchocerca volvulus 0.003 0.042 0.0409
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Entamoeba histolytica hypothetical protein 0.0022 0.017 0.005
Trypanosoma brucei protein kinase, putative 0.005 0.1056 0.2049
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0138 0.0013
Plasmodium vivax importin-beta 2, putative 0.0028 0.0362 0.2255
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.1749 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.5033 0.664
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0301 0.8928 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0362 0.0362
Onchocerca volvulus 0.024 0.7015 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0021 0.0138 0.0138
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0021 0.0138 0.0138
Brugia malayi Pre-SET motif family protein 0.0211 0.6099 0.6786
Schistosoma mansoni ran 0.0021 0.0126 0.0126
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.1749 1
Echinococcus multilocularis snurportin 1 0.0303 0.9008 0.9008
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0069 0.1639 0.1639
Trypanosoma brucei DNA repair protein, putative 0.0039 0.0704 0.1272
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0021 0.0138 0.0026
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.2923 0.2923
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0138 0.0026
Entamoeba histolytica hypothetical protein 0.011 0.2923 0.3177
Brugia malayi Pre-SET motif family protein 0.003 0.042 0.0333
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7516 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0039 0.0704 0.1272
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1259
Echinococcus granulosus zinc finger protein 0.0019 0.0079 0.0079
Schistosoma mansoni hypothetical protein 0.011 0.2923 0.2923
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.1056 0.1056
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0021 0.0138 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.1056 0.2049
Echinococcus granulosus poly (ADP ribose) polymerase 0.0047 0.0938 0.0938
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0126 0.0119
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7516 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4666 0.5169
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0112 0.0103
Toxoplasma gondii propionate-CoA ligase 0.0021 0.0138 0.0013
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0138 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1259
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1056 0.2049
Echinococcus multilocularis geminin 0.0335 1 1
Entamoeba histolytica hypothetical protein 0.0022 0.017 0.005
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7516 1
Echinococcus granulosus mitogen activated protein kinase 0.005 0.1056 0.1056
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0138 0.0016
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.1056 0.1056
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0951 0.0951
Loa Loa (eye worm) hypothetical protein 0.0028 0.0362 0.0382
Onchocerca volvulus Glucosylceramidase homolog 0.0168 0.4749 0.6704
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0165 0.4666 1
Loa Loa (eye worm) tnks protein 0.0022 0.017 0.0168
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0021 0.0138 0.0013
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.0138 0.0546
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Giardia lamblia Kinase, CMGC MAPK 0.005 0.1056 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0193 0.0147
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0588 0.0588
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.1056 0.5732
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0138 0.0013
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.0138 0.0546
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.1749 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1749 0.1924
Brugia malayi AMP-binding enzyme family protein 0.0072 0.1749 0.1843
Trypanosoma cruzi DNA repair protein, putative 0.0039 0.0704 0.1272
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0951 0.0951
Plasmodium vivax acetyl-CoA synthetase, putative 0.0021 0.0138 0.0113
Loa Loa (eye worm) hypothetical protein 0.0042 0.0798 0.0866
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1079 0.6071
Onchocerca volvulus Tankyrase homolog 0.0022 0.017 0.0047
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0021 0.0138 0.0013
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.5033 0.664
Entamoeba histolytica zinc finger protein, putative 0.0022 0.017 0.005
Schistosoma mansoni ran 0.0021 0.0126 0.0126
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.1749 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.1329 0.1329
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0171 0.0171
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.1056 0.2049
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0138 0.0073
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0301 0.8928 0.8928
Loa Loa (eye worm) hypothetical protein 0.004 0.0738 0.08
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0385 0.0385
Trichomonas vaginalis set domain proteins, putative 0.024 0.7015 0.9322
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.1749 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.1056 0.2049
Echinococcus multilocularis zinc finger protein 0.0019 0.0079 0.0079
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.1056 0.1014
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.1749 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0301 0.8928 0.8928
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0165 0.4666 0.4666
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.1749 0.1843
Brugia malayi AMP-binding enzyme family protein 0.0072 0.1749 0.1843
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0138 0.0546
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.6099 0.6764
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0138 0.0016
Loa Loa (eye worm) hypothetical protein 0.0229 0.6669 0.7398
Echinococcus granulosus importin subunit beta 1 0.0028 0.0362 0.0362
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.0138 0.0546
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.1056 0.1154
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0118 0.3197 0.3535
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0021 0.0138 0.0113
Plasmodium vivax SET domain protein, putative 0.003 0.042 0.2804
Entamoeba histolytica hypothetical protein 0.011 0.2923 0.3177
Loa Loa (eye worm) oxidoreductase 0.0021 0.0138 0.0132
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0138 0.0073
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.1172 1
Brugia malayi Tnks protein 0.0022 0.017 0.005
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7516 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0704 0.0762
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.2923 0.2923
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0588 0.0588
Loa Loa (eye worm) hypothetical protein 0.0072 0.1749 0.1924
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0138 0.0546
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.0138 0.0546
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0039 0.0704 0.1272
Loa Loa (eye worm) hypothetical protein 0.0054 0.1172 0.1283
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.1749 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0021 0.0138 0.0013
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0256 0.7516 0.8395
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.0138 0.0546
Brugia malayi PHD-finger family protein 0.0025 0.0245 0.0135
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7516 1
Schistosoma mansoni hypothetical protein 0.0303 0.9008 0.9008
Entamoeba histolytica hypothetical protein 0.011 0.2923 0.3177
Loa Loa (eye worm) hypothetical protein 0.0054 0.1172 0.1283
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0138 0.0546
Brugia malayi hypothetical protein 0.011 0.2923 0.3177
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.042 0.032
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0362 0.052
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0138 0.0132
Brugia malayi RNA, U transporter 1 0.0081 0.201 0.214
Schistosoma mansoni hypothetical protein 0.0335 1 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0138 0.0546
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.1172 0.6617
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Schistosoma mansoni acetyl-CoA synthetase 0.0021 0.0138 0.0138
Schistosoma mansoni zinc finger protein 0.0019 0.0079 0.0079
Leishmania major hypothetical protein, conserved 0.0039 0.0704 0.3559
Echinococcus granulosus poly adp ribose polymerase 2 0.0165 0.4666 0.4666
Echinococcus granulosus poly (ADP ribose) polymerase 0.0047 0.0938 0.0938
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.1749 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.0138 0.0546
Entamoeba histolytica hypothetical protein 0.011 0.2923 0.3177
Echinococcus granulosus WGR domain containing protein 0.0093 0.2407 0.2407
Echinococcus granulosus tankyrase 0.0022 0.017 0.017
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.007 0.1672 0.1839
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1079 0.6071
Brugia malayi Bromodomain containing protein 0.0038 0.0662 0.0609
Onchocerca volvulus DNA ligase 3 homolog 0.0039 0.0704 0.0822
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.1749 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1079 0.6071
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0138 0.0013
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1056 0.1056
Echinococcus multilocularis tankyrase 0.0022 0.017 0.017
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.0138 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.1079 0.6071
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.1749 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.144 0.144
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0193 0.0091
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1056 0.2049
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0362 0.0257
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0138 0.0026
Schistosoma mansoni transcription factor LCR-F1 0.011 0.2923 0.2923
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0054 0.1172 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.9008 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.042 0.042
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.1056 0.5732
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.042 0.042
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4749 0.6255
Leishmania major DNA repair protein, putative 0.0039 0.0704 0.3559
Entamoeba histolytica hypothetical protein 0.0022 0.017 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.017 0.0059
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.1172 0.6421
Schistosoma mansoni hypothetical protein 0.002 0.0112 0.0112
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0165 0.4666 0.4666
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0132
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.1749 0.1843
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.1172 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.1749 1
Mycobacterium ulcerans hypothetical protein 0.0072 0.1749 1
Brugia malayi WGR domain containing protein 0.0165 0.4666 0.5157
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.1749 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0126 0.0126
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0138 0.0026
Echinococcus granulosus poly ADP ribose polymerase 1 0.0301 0.8928 0.8928
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0143 0.3964 0.3964
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0312 0.9299 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0138 0.0013
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.1329 0.1329

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.2 nM Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]-GTP-gammaS, binding ChEMBL. 15869877
Efficacy (functional) = 99 % Activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]-GTP-gammaS, binding compared to U50,488H ChEMBL. 15869877
Ki (binding) = 3.2 nM Inhibition of [3H]-diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells ChEMBL. 15869877

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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