Detailed information for compound 426469

Basic information

Technical information
  • TDR Targets ID: 426469
  • Name: 1-[(1R,2R)-2-(3-cyclohexylpropoxy)cyclohexyl] pyrrolidin-3-one
  • MW: 307.471 | Formula: C19H33NO2
  • H donors: 0 H acceptors: 1 LogP: 4.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCN(C1)[C@@H]1CCCC[C@H]1OCCCC1CCCCC1
  • InChi: 1S/C19H33NO2/c21-17-12-13-20(15-17)18-10-4-5-11-19(18)22-14-6-9-16-7-2-1-3-8-16/h16,18-19H,1-15H2/t18-,19-/m1/s1
  • InChiKey: UFONXKIZORASRI-RTBURBONSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(1R,2R)-2-(3-cyclohexylpropoxy)cyclohexyl]-3-pyrrolidinone
  • 1-[(1R,2R)-2-(3-cyclohexylpropoxy)cyclohexyl]-3-pyrrolidone

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 glutathione reductase 0.005 0.004 0.1185
Leishmania major cysteinyl-tRNA synthetase, putative 0.0084 0.0099 0.4248
Schistosoma mansoni smdr2 0.0065 0.0066 0.2846
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.0174 0.0155
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.0152 0.0133
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0084 0.0099 0.4265
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Entamoeba histolytica P-glyco protein 6, putative 0.0065 0.0066 0.664
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.578 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0008 0.0335
Plasmodium falciparum cysteine--tRNA ligase 0.0084 0.0099 0.4265
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.004 0.1724
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0065 0.0066 0.2846
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.004 0.1724
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0065 0.0066 0.1957
Echinococcus granulosus multidrug resistance protein 1 0.0046 0.0032 0.1369
Entamoeba histolytica P-glycoprotein-2, putative 0.0065 0.0066 0.664
Loa Loa (eye worm) thioredoxin reductase 0.005 0.004 0.1185
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0008 0.0334
Trichomonas vaginalis abcb9, putative 0.0065 0.0066 0.1675
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0054 0.0047 0.2002
Loa Loa (eye worm) hypothetical protein 0.0065 0.0066 0.1957
Echinococcus granulosus dihydrofolate reductase 0.0047 0.0034 0.1447
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0065 0.0066 0.2846
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0182 0.0269 0.1389
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0065 0.0055
Giardia lamblia Cysteinyl-tRNA synthetase 0.0084 0.0099 1
Entamoeba histolytica P-glycoprotein-2 0.0065 0.0066 0.664
Onchocerca volvulus 0.0114 0.0151 0.3873
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0065 0.0066 0.2846
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0001 0.0021
Loa Loa (eye worm) hypothetical protein 0.0065 0.0065 0.192
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.079 0.1325 0.1308
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0047 0.1189
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0084 0.0099 0.427
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.079 0.1325 0.1308
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.03 0.0474 1
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0047 0.0027
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0134 0.0185 0.0165
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.0174 0.0155
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0065 0.0066 0.1675
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.0152 0.0133
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0161 0.0232 1
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0065 0.2792
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0302
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0065 0.0045
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.079 0.1325 1
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.004 0.1696
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0335
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0182 0.0269 0.5679
Echinococcus multilocularis serotonin transporter 0.0161 0.0232 1
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0084 0.0099 0.4248
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0114 0.0151 0.6519
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Loa Loa (eye worm) hypothetical protein 0.0161 0.0232 0.6876
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0033 0.001 0.0439
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.004 0.002
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0065 0.0055
Schistosoma mansoni multidrug resistance protein 0.0065 0.0066 0.2846
Brugia malayi Pre-SET motif family protein 0.0221 0.0337 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0047 0.0034 0.0014
Brugia malayi thymidylate synthase 0.0114 0.0151 0.4483
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0084 0.0099 0.427
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0065 0.2795
Echinococcus multilocularis ATP binding cassette sub family B 0.0065 0.0065 0.2792
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0065 0.0055
Loa Loa (eye worm) multidrug resistance protein 3 0.0065 0.0066 0.1957
Echinococcus granulosus serotonin transporter 0.0161 0.0232 1
Echinococcus granulosus multidrug resistance protein 1 0.0065 0.0066 0.2846
Brugia malayi Dihydrofolate reductase 0.0047 0.0034 0.0995
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0006 0.0247
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Trichomonas vaginalis ABC transporter, putative 0.0065 0.0066 0.1675
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0065 0.0066 0.2843
Trichomonas vaginalis set domain proteins, putative 0.0252 0.0391 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0161 0.0232 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0065 0.0066 0.2846
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0008 0.0335
Plasmodium falciparum flap endonuclease 1 0.0028 0.0001 0.0031
Trypanosoma brucei trypanothione reductase 0.005 0.004 0.1696
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0033 0.001 0.0439
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0065 0.0066 0.1675
Loa Loa (eye worm) solute carrier family 6 member 4 0.0161 0.0232 0.6876
Echinococcus granulosus cysteinyl tRNA synthetase 0.0084 0.0099 0.427
Plasmodium vivax thioredoxin reductase, putative 0.005 0.004 0.1722
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0439
Echinococcus granulosus multidrug resistance protein 1 0.0065 0.0066 0.2846
Mycobacterium tuberculosis Probable reductase 0.0115 0.0152 0.0133
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0161 0.0232 1
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.578 1 1
Plasmodium falciparum cysteine--tRNA ligase 0.0084 0.0099 0.4265
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0084 0.0099 0.2523
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0114 0.0151 0.0132
Trichomonas vaginalis ABC transporter, putative 0.0065 0.0066 0.1675
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Mycobacterium ulcerans glycosyltransferase 0.0039 0.002 0.001
Trichomonas vaginalis ABC transporter, putative 0.0065 0.0066 0.1675
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0065 0.2795
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0065 0.0066 0.2846
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 0.0032 0.0796
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0001 0.0031
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0033 0.001 0.0438
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.03 0.0474 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.0152 0.0133
Loa Loa (eye worm) hypothetical protein 0.0032 0.0008 0.023
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0065 0.0066 0.1675
Echinococcus granulosus multidrug resistance protein 1 0.0046 0.0032 0.1369
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0084 0.0099 0.4248
Treponema pallidum sodium- and chloride- dependent transporter 0.0161 0.0232 0.3544
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.0152 0.0133
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Loa Loa (eye worm) hypothetical protein 0.0161 0.0232 0.6876
Brugia malayi hypothetical protein 0.0054 0.0047 0.1396
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0084 0.0099 0.427
Brugia malayi Pre-SET motif family protein 0.0032 0.0008 0.023
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0065 0.0066 0.2846
Onchocerca volvulus 0.0032 0.0008 0.0199
Trichomonas vaginalis abcb9, putative 0.0065 0.0066 0.1675
Plasmodium vivax glutathione reductase, putative 0.005 0.004 0.1722
Mycobacterium ulcerans thymidylate synthase 0.0114 0.0151 0.0141
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0001 0.0031
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0084 0.0099 1
Echinococcus multilocularis multidrug resistance protein 1 0.0065 0.0066 0.2846
Echinococcus granulosus flap endonuclease 1 0.0028 0.0001 0.0031
Brugia malayi multidrug resistance protein 3 0.0065 0.0066 0.1957
Loa Loa (eye worm) serotonin transporter b 0.0161 0.0232 0.6876
Echinococcus granulosus leucyl tRNA synthetase 0.0084 0.0099 0.427
Echinococcus multilocularis multidrug resistance protein 1 0.0046 0.0032 0.1369
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0134 0.0185 0.0165
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0084 0.0099 0.0089
Brugia malayi Thioredoxin reductase 0.005 0.004 0.1185
Schistosoma mansoni dihydrofolate reductase 0.0047 0.0034 0.1447
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0065 0.0066 0.2846
Loa Loa (eye worm) norepinephrine transporter 0.0161 0.0232 0.6876
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0065 0.0066 0.2846
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0008 0.0335
Plasmodium falciparum glutathione reductase 0.005 0.004 0.1722
Brugia malayi Flap endonuclease-1 0.0028 0.0001 0.0021
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0065 0.0065 0.2792
Echinococcus granulosus multidrug resistance protein 1 0.0065 0.0066 0.2846
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.0152 0.0133
Schistosoma mansoni sodium/chloride dependent transporter 0.0161 0.0232 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0033 0.001 0.0243
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0439
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0084 0.0099 0.2936
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.0174 0.0155
Loa Loa (eye worm) hypothetical protein 0.0084 0.0099 0.2936
Chlamydia trachomatis dihydrofolate reductase 0.0047 0.0034 0.0708
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0161 0.0232 1
Toxoplasma gondii thioredoxin reductase 0.005 0.004 0.1722
Schistosoma mansoni multidrug resistance protein 0.0065 0.0066 0.2846
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.0174 0.0155
Leishmania major trypanothione reductase 0.005 0.004 0.1696
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0065 0.0066 0.1675
Plasmodium vivax multidrug resistance protein 1, putative 0.0065 0.0066 0.2843
Entamoeba histolytica P-glycoprotein-5 0.0065 0.0066 0.664
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0065 0.2795
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0182 0.0269 0.4538
Loa Loa (eye worm) thymidylate synthase 0.0114 0.0151 0.4483
Echinococcus multilocularis multidrug resistance protein 1 0.0065 0.0066 0.2846
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.079 0.1325 0.1316
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0335
Loa Loa (eye worm) dihydrofolate reductase 0.0047 0.0034 0.0995
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0084 0.0099 0.4248
Echinococcus multilocularis dihydrofolate reductase 0.0047 0.0034 0.1447
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0008 0.0335
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0065 0.2795
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0065 0.0066 0.1675
Onchocerca volvulus 0.0252 0.0391 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0065 0.0066 0.664
Loa Loa (eye worm) glutathione reductase 0.005 0.004 0.1185
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Plasmodium falciparum multidrug resistance protein 1 0.0065 0.0066 0.2843
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0047 0.0034 0.0014
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0065 0.0066 0.1675
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.0337 1
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0438
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Trichomonas vaginalis taga, putative 0.0065 0.0066 0.1675
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0065 0.0066 0.1392
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Leishmania major p-glycoprotein 0.0065 0.0066 0.282
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Plasmodium vivax SET domain protein, putative 0.0032 0.0008 0.0334
Entamoeba histolytica P-glycoprotein-2 0.0065 0.0066 0.664
Echinococcus multilocularis thymidylate synthase 0.0114 0.0151 0.6519
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0033 0.001 0.0438
Schistosoma mansoni multidrug resistance protein 0.0065 0.0066 0.2846
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Brugia malayi dihydrofolate reductase family protein 0.0047 0.0034 0.0995
Trichomonas vaginalis abcb9, putative 0.0065 0.0066 0.1675
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0001 0.0031
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0047 0.0034 0.0023
Onchocerca volvulus 0.0084 0.0099 0.2537
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0065 0.0066 0.1675
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0065 0.0066 0.2843
Onchocerca volvulus 0.0161 0.0232 0.594
Onchocerca volvulus 0.0065 0.0066 0.169
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0114 0.0151 0.0132
Echinococcus granulosus thymidylate synthase 0.0114 0.0151 0.6519
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0161 0.0232 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0065 0.0066 0.2846
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0065 0.0066 0.0046
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0084 0.0099 0.2936
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0182 0.0269 0.0259
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0161 0.0232 1
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0962
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.0152 0.0133
Plasmodium vivax cysteine--tRNA ligase, putative 0.0084 0.0099 0.4265
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0335
Loa Loa (eye worm) hypothetical protein 0.0033 0.001 0.0302
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0161 0.0232 1
Onchocerca volvulus 0.0033 0.001 0.0261
Plasmodium falciparum thioredoxin reductase 0.005 0.004 0.1722
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0033 0.001 0.0962
Trichomonas vaginalis ABC transporter, putative 0.0065 0.0066 0.1675
Loa Loa (eye worm) hypothetical protein 0.0065 0.0066 0.1957
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0065 0.2769
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0065 0.0066 0.1675
Chlamydia trachomatis cysteine--tRNA ligase 0.0084 0.0099 0.2089
Loa Loa (eye worm) hypothetical protein 0.0161 0.0232 0.6876
Entamoeba histolytica P-glycoprotein-1 0.0065 0.0066 0.664
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0065 0.0066 0.1675
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0065 0.0066 0.282
Brugia malayi ABC transporter family protein 0.0065 0.0066 0.1957
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0161 0.0232 0.6876

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 5.3 micromol/kg/min Hemodynamic effect in intravenously dosed Sprague-Dawley rat with ischemia-induced arrhythmia assessed as dose producing 25% reduction in systemic blood pressure ChEMBL. 17506538
Activity (ADMET) = 300 umol/Kg CNS toxicity in iv dosed Sprague-Dawley rat assessed as cumulative convulsion dose ChEMBL. 17506538

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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