Detailed information for compound 2136902

Basic information

Technical information
  • TDR Targets ID: 2136902
  • Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methyl idene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1- yl]methyl]benzene-1,4-diol
  • MW: 314.225 | Formula: C21H30O2
  • H donors: 2 H acceptors: 2 LogP: 6.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)C[C@]1(C)[C@@H](C)CC[C@]2([C@H]1CCCC2=C)C)O
  • InChi: InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
  • InChiKey: FBMAHDGTCDISLJ-LWILDLIXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]benzene-1,4-diol
  • 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-1-decalinyl]methyl]benzene-1,4-diol
  • 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]hydroquinone

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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.039
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0466 0.0293
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0049 0.0437 0.0264
Mycobacterium ulcerans aldehyde dehydrogenase 0.0049 0.0437 0.1803
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0607 0.0437
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0199 0.0021
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.039
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0049 0.0437 0.0936
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0199 0.0421
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0054 0.0543 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0279 0.5105 0.5016
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0231 0.4127 0.4048
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.0749 0.0581
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0054 0.0543 0.0416
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0466 0.0293
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0087 0.1217 0.2575
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0054 0.0543 0.0416
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0049 0.0442 0.705
Toxoplasma gondii thioredoxin reductase 0.0048 0.0413 0.6206
Trichomonas vaginalis cation-transporting ATPase, putative 0.0049 0.0442 0.0817
Echinococcus multilocularis transient receptor potential gamma protein 0.0097 0.1415 0.1259
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.4726 1
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.4726 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0199 0.039
Mycobacterium tuberculosis Probable reductase 0.0109 0.1651 0.3816
Mycobacterium ulcerans aldehyde dehydrogenase 0.0049 0.0437 0.1803
Loa Loa (eye worm) glutathione reductase 0.0048 0.0413 0.0808
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0607 0.0437
Schistosoma mansoni hypothetical protein 0.0036 0.0181 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.1217 0.1099
Entamoeba histolytica hypothetical protein 0.0036 0.0181 0.3341
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0199 0.0297
Loa Loa (eye worm) hypothetical protein 0.0142 0.2333 0.457
Brugia malayi follicle stimulating hormone receptor 0.0188 0.3266 0.6911
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0994 0.2001
Echinococcus granulosus tar DNA binding protein 0.0063 0.0731 0.0563
Schistosoma mansoni transient receptor potential channel 0.0097 0.1415 0.13
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0231 0.4127 0.402
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0118 0.1832 0.9619
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0049 0.0442 0.7455
Loa Loa (eye worm) hypothetical protein 0.0034 0.0144 0.0283
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0132 0.028
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0279 0.5105 0.5016
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0731 0.1433
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0466 0.0913
Loa Loa (eye worm) hypothetical protein 0.0034 0.0126 0.0247
Entamoeba histolytica hypothetical protein 0.0036 0.0181 0.3341
Trypanosoma brucei calcium-translocating P-type ATPase 0.0054 0.0543 1
Echinococcus granulosus neuropeptide s receptor 0.0373 0.7021 0.6967
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.135 0.1193
Mycobacterium ulcerans beta-lactamase 0.0037 0.0199 0.0714
Loa Loa (eye worm) hypothetical protein 0.0049 0.045 0.0882
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0123 0.1934 0.4093
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.4726 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0199 0.1373
Schistosoma mansoni transmemberane protein 0.0279 0.5105 0.504
Echinococcus granulosus transient receptor potential gamma protein 0.0097 0.1415 0.1259
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0181 0.005
Brugia malayi mbt repeat family protein 0.005 0.0466 0.0986
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0049 0.0442 0.7455
Brugia malayi beta-lactamase family protein 0.0037 0.0199 0.0421
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3097 0.6508
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0199 0.039
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0049 0.0442 0.705
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0123 0.1934 0.3788
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0731 0.0607
Entamoeba histolytica hypothetical protein 0.0036 0.0181 0.3341
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.8131
Loa Loa (eye worm) hypothetical protein 0.0034 0.0132 0.0259
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0279 0.5105 0.504
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0199 0.0371
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0188 0.3266 0.6398
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.039
Echinococcus multilocularis calcium transporting atpase 0.0054 0.0543 0.0371
Loa Loa (eye worm) RNA binding protein 0.0063 0.0731 0.1433
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0279 0.5105 0.5016
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.1897 0.44
Schistosoma mansoni transient receptor potential channel 4 0.0097 0.1415 0.13
Echinococcus granulosus chromobox protein 1 0.0076 0.0994 0.083
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0054 0.0543 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0683 0.1338
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0087 0.1217 0.2383
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0413 0.0878
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0142 0.2333 0.223
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Schistosoma mansoni chromobox protein 0.0076 0.0994 0.0873
Loa Loa (eye worm) hypothetical protein 0.0279 0.5105 1
Schistosoma mansoni hypothetical protein 0.0306 0.5648 0.5589
Schistosoma mansoni transient receptor potential channel 0.0064 0.0749 0.0625
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0054 0.0543 1
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0142 0.2333 1
Brugia malayi glutathione reductase 0.0048 0.0413 0.0873
Leishmania major calcium motive p-type ATPase, putative 0.0054 0.0543 1
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0994 0.2001
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0731 0.0607
Schistosoma mansoni ATPase 0.0049 0.0442 0.0314
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0032 0.0091 0.1672
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0607 0.1285
Schistosoma mansoni ATPase 0.0049 0.0442 0.0314
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0181 0.0003
Leishmania major trypanothione reductase 0.0048 0.0413 0.6206
Brugia malayi hypothetical protein 0.0036 0.0181 0.0384
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0199 0.0297
Loa Loa (eye worm) hypothetical protein 0.0095 0.138 0.2703
Trichomonas vaginalis chromobox protein, putative 0.0046 0.038 0.0684
Onchocerca volvulus 0.0279 0.5105 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1651 0.3816
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1887 0.3696
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0049 0.0442 0.0268
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.3466 0.3347
Loa Loa (eye worm) MBCTL1 0.0057 0.0607 0.119
Echinococcus granulosus nervana 2 0.0279 0.5105 0.5016
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.4726 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0199 0.0297
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.4726 1
Echinococcus granulosus chromobox protein 1 0.0076 0.0994 0.083
Brugia malayi mbt repeat family protein 0.005 0.0466 0.0986
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0199 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0314 0.0543
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0054 0.0543 0.0371
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0199 0.0714
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.0749 0.0581
Echinococcus multilocularis neuropeptide receptor A26 0.0373 0.7021 0.6967
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0314 0.0376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.1217 0.1099
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0199 0.1373
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1651 0.3816
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0731 0.1548
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.0817
Echinococcus multilocularis chromobox protein 1 0.0076 0.0994 0.083
Trypanosoma brucei trypanothione reductase 0.0048 0.0413 0.6727
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0142 0.2333 0.2194
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0731 0.0563
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1651 0.3816
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0142 0.2333 0.457
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1651 0.3816
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0142 0.2333 0.223
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.026 0.4726 0.9256
Echinococcus granulosus nervana 2 0.0279 0.5105 0.5016
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0049 0.0442 0.7455
Plasmodium vivax P-type ATPase4, putative 0.0054 0.0543 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0731 0.0607
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.1651 0.8551
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0466 0.0293
Leishmania major P-type ATPase, putative 0.0054 0.0543 1
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.4726 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0049 0.0442 0.7455
Plasmodium vivax glutathione reductase, putative 0.0048 0.0413 0.6206
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0279 0.5105 0.5016
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0054 0.0543 1
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Echinococcus multilocularis geminin 0.052 1 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0054 0.0543 1
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0054 0.0543 0.0416
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.3466 0.3347
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0413 0.0238
Loa Loa (eye worm) hypothetical protein 0.0088 0.1236 0.2421
Echinococcus multilocularis X box binding protein 1 0.0232 0.415 0.4043
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0054 0.0543 0.0371
Schistosoma mansoni hypothetical protein 0.052 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0054 0.0543 0.1035
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.8131
Onchocerca volvulus 0.0037 0.0199 0.0146
Trichomonas vaginalis esterase, putative 0.0037 0.0199 0.0297
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0607 0.0481
Onchocerca volvulus 0.0231 0.4127 0.8035
Trichomonas vaginalis cation-transporting ATPase, putative 0.0049 0.0442 0.0817
Brugia malayi Membrane calcium atpase protein 3 0.0054 0.0543 0.115
Echinococcus granulosus Na:K ATPase alpha subunit 0.0142 0.2333 0.2194
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0466 0.0683
Brugia malayi MH2 domain containing protein 0.012 0.1887 0.3992
Echinococcus multilocularis nervana 2 0.0279 0.5105 0.5016
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0413 0.0808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0087 0.1217 0.1057
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.1897 0.44
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0199 0.0371
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.038 0.0509
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.0817
Mycobacterium tuberculosis Conserved protein 0.0037 0.0199 0.0371
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0087 0.1217 0.1057
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0199 0.0021
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.1897 0.44
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.026 0.4726 1
Echinococcus granulosus X box binding protein 1 0.0232 0.415 0.4043
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0054 0.0543 0.115
Loa Loa (eye worm) hypothetical protein 0.005 0.0466 0.0913
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0049 0.0437 0.6922
Echinococcus multilocularis nervana 2 0.0231 0.4127 0.402
Mycobacterium ulcerans hypothetical protein 0.0037 0.0199 0.0714
Plasmodium falciparum calcium-transporting ATPase 0.0054 0.0543 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0054 0.0543 0.0416
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0178 0.0378
Mycobacterium ulcerans lipase LipD 0.0037 0.0199 0.0714
Brugia malayi beta-lactamase 0.0037 0.0199 0.0421
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0049 0.0442 0.0268
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0054 0.0543 0.0371
Echinococcus multilocularis neuropeptide s receptor 0.0373 0.7021 0.6967
Brugia malayi Na,K-ATPase alpha subunit 0.0142 0.2333 0.4937
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0137 0.2231 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0442 0.0865
Brugia malayi chromobox protein homolog 3 0.0043 0.0314 0.0664
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0731 0.0607
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.0994 0.1947
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0049 0.0442 0.705
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.4257 1
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0054 0.0543 0.0371
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0054 0.0543 0.0371
Echinococcus multilocularis chromobox protein 1 0.0076 0.0994 0.083
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.1897 1
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0054 0.0543 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0314 0.0543
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0054 0.0543 0.0371
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0054 0.0543 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0199 0.1373
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0087 0.1217 0.1057
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1887 0.3696
Echinococcus granulosus calcium transporting atpase 0.0054 0.0543 0.0371
Trichomonas vaginalis chromobox protein, putative 0.0046 0.038 0.0684
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0413 0.6206
Onchocerca volvulus 0.0137 0.2231 0.4228
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.0817
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.0817
Echinococcus multilocularis nervana 2 0.0279 0.5105 0.5016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0049 0.0437 0.0264
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0199 0.0297
Brugia malayi RNA binding protein 0.0063 0.0731 0.1548
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0231 0.4127 0.4048
Plasmodium vivax calcium-transporting ATPase, putative 0.0054 0.0543 1
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0054 0.0543 0.0416
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0413 0.6727
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0413 0.0238
Brugia malayi E1-E2 ATPase family protein 0.0032 0.0091 0.0192
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0279 0.5105 0.5016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.045 0.0952
Brugia malayi TAR-binding protein 0.0063 0.0731 0.1548
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0199 0.0297
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0199 0.0068
Onchocerca volvulus 0.0037 0.0199 0.0146
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0731 0.1433
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0087 0.1217 0.1057
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0054 0.0543 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1651 0.3816
Leishmania major calcium-transporting ATPase, putative 0.0054 0.0543 1
Brugia malayi Thioredoxin reductase 0.0048 0.0413 0.0873
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0199 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.039
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0054 0.0543 0.1035
Echinococcus multilocularis nervana 2 0.0231 0.4127 0.402
Loa Loa (eye worm) hypothetical protein 0.0036 0.0178 0.035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0049 0.0437 0.1803
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0466 0.0338
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0466 0.0338
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0034 0.0144 0.0305
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.045 0.0882
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.135 0.1193
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0279 0.5105 0.5016
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0199 0.0371
Onchocerca volvulus 0.005 0.0466 0.0683
Loa Loa (eye worm) hypothetical protein 0.0037 0.0199 0.039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0199 0.0371
Schistosoma mansoni hypothetical protein 0.0232 0.415 0.4071
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0049 0.0442 0.7455
Loa Loa (eye worm) hypothetical protein 0.0279 0.5105 1
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0034 0.0144 0.0283
Brugia malayi Heterochromatin protein 1 0.0076 0.0994 0.2103
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Loa Loa (eye worm) hypothetical protein 0.0043 0.0314 0.0614
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0731 0.0607
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.0749 0.0581
Mycobacterium tuberculosis Conserved protein 0.0037 0.0199 0.0371
Toxoplasma gondii aldehyde dehydrogenase 0.0049 0.0437 0.6922
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Trichomonas vaginalis cation-transporting ATPase, putative 0.0049 0.0442 0.0817
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0049 0.0442 0.7455
Echinococcus granulosus nervana 2 0.0231 0.4127 0.402
Mycobacterium tuberculosis Conserved protein 0.0037 0.0199 0.0371
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0466 0.0338
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.291 0.5591
Leishmania major calcium-translocating P-type ATPase 0.0049 0.0442 0.705
Schistosoma mansoni aldehyde dehydrogenase 0.0049 0.0437 0.0309
Onchocerca volvulus 0.0037 0.0199 0.0146
Loa Loa (eye worm) hypothetical protein 0.0111 0.1688 0.3307
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0049 0.0442 0.0817
Schistosoma mansoni chromobox protein 0.0076 0.0994 0.0873
Echinococcus granulosus nervana 2 0.0231 0.4127 0.402
Loa Loa (eye worm) hypothetical protein 0.0033 0.0113 0.0221
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0199 0.0714
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0607 0.0437
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Schistosoma mansoni hypothetical protein 0.052 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0279 0.5105 0.504
Toxoplasma gondii P-type ATPase4, putative 0.0054 0.0543 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.1415 0.2773
Schistosoma mansoni aldehyde dehydrogenase 0.0049 0.0437 0.0309
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0199 0.0371
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3097 0.6508
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.045 0.0952
Echinococcus granulosus neuropeptide receptor A26 0.0373 0.7021 0.6967
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.1217 0.1099
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0231 0.4127 0.402
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0181 0.0003
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0466 0.0293
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0199 0.0371
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.291 0.6108
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0054 0.0543 0.2287
Schistosoma mansoni transient receptor potential channel 0.0064 0.0749 0.0625
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0049 0.0442 0.8131
Brugia malayi beta-lactamase family protein 0.0037 0.0199 0.0421
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.0749 0.0581
Entamoeba histolytica hypothetical protein 0.0036 0.0181 0.3341
Loa Loa (eye worm) hypothetical protein 0.0057 0.0607 0.119
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0054 0.0543 0.0371
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0607 0.0437

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 32 uM Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins LITERATURE. 27336796
Inhibition (binding) = 35 % Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli at 32 uM preincubated for 10 mins followed by pNPP substrate addition measured after 30 mins relative to control LITERATURE. 27336796

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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