Detailed information for compound 74648

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1055.22 | Formula: C47H88N5Na2O12P2S
  • H donors: 1 H acceptors: 7 LogP: 15 Rotable bonds: 45
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCCCCSCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OP(=O)(OCC1OC(CC1N=[N+]=[NH-])n1cc(C)c(=O)[nH]c1=O)[O-])[O-].[NaH+].[NaH+]
  • InChi: 1S/C47H87N5O12P2S.2Na/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-34-67-39-41(62-45(53)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2)37-60-65(56,57)64-66(58,59)61-38-43-42(50-51-48)35-44(63-43)52-36-40(3)46(54)49-47(52)55;;/h36,41-44H,4-35,37-39H2,1-3H3,(H,56,57)(H,58,59)(H,49,54,55);;/q;2*+1/p-2
  • InChiKey: ASHAHCAQGWCIED-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 PAS domain containing protein 0.0049 0.1546 0.2299
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0438 0.0651
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0438 0.0453
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0438 0.0453
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0566 0.0842
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2092 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1014 0.6489
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.2092 0.2413
Onchocerca volvulus 0.0027 0.0566 0.0377
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0445 0.0826
Brugia malayi hypoxia-induced factor 1 0.0151 0.6152 0.915
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0438 0.0453
Loa Loa (eye worm) hypothetical protein 0.0037 0.1014 0.1509
Mycobacterium ulcerans hypothetical protein 0.0037 0.1014 0.4402
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0438 0.0453
Schistosoma mansoni hypothetical protein 0.0203 0.8492 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.6724 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1367 0.1555
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0438 0.0651
Brugia malayi jmjC domain containing protein 0.0016 0.0056 0.0083
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1367 0.1555
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0445 0.1443
Loa Loa (eye worm) hypothetical protein 0.0037 0.1014 0.1509
Schistosoma mansoni jumonji domain containing protein 0.0059 0.2005 0.2311
Schistosoma mansoni hypothetical protein 0.0082 0.303 0.3526
Brugia malayi nuclear hormone receptor 0.0024 0.0438 0.0651
Loa Loa (eye worm) hypothetical protein 0.0018 0.0167 0.0249
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0083
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0362 0.1503
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0056 0.0083
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0041 0.1194 0.5335
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.1014 0.7308
Echinococcus granulosus lamin dm0 0.0027 0.0566 0.0605
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0362 0.5534
Toxoplasma gondii exonuclease III APE 0.0023 0.0362 0.1503
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.3834 0.5702
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.1014 0.1509
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.2005 0.2311
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0438 0.0453
Leishmania major hypothetical protein, conserved 0.0037 0.1014 0.4709
Leishmania major cytochrome p450-like protein 0.0041 0.1194 0.5591
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0362 0.1011
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0438 0.0453
Onchocerca volvulus 0.0037 0.1014 0.1698
Mycobacterium ulcerans beta-lactamase 0.0037 0.1014 0.4402
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0609 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0609 0.577
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1014 0.6489
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0445 0.1911
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0438 0.0453
Toxoplasma gondii ABC1 family protein 0.0037 0.1014 0.4709
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1014 0.6489
Schistosoma mansoni hypothetical protein 0.0203 0.8492 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0438 0.0453
Onchocerca volvulus 0.0037 0.1014 0.1698
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0609 0.2295
Loa Loa (eye worm) hypothetical protein 0.0037 0.1014 0.1509
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0445 0.0826
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.2092 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Echinococcus granulosus lamin 0.0027 0.0566 0.0605
Trypanosoma cruzi cytochrome P450, putative 0.0041 0.1194 0.8677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0438 0.0651
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0151 0.6141 0.7213
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0438 0.0651
Echinococcus granulosus intermediate filament protein 0.0027 0.0566 0.0605
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1367 0.1555
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2092 0.2413
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.2005 0.2982
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1014 0.7308
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.6152 0.915
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0438 0.0453
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0438 0.0453
Loa Loa (eye worm) hypothetical protein 0.0018 0.0167 0.0249
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Echinococcus granulosus geminin 0.0203 0.8492 1
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0438 0.0453
Trypanosoma brucei cytochrome P450, putative 0.0041 0.1194 0.8677
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.1367 0.6443
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0438 0.0651
Echinococcus multilocularis lamin 0.0027 0.0566 0.0605
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0662
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.3879 0.4532
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0662
Loa Loa (eye worm) hypothetical protein 0.01 0.3834 0.5702
Onchocerca volvulus 0.0027 0.0566 0.0377
Brugia malayi jmjC domain containing protein 0.0016 0.0056 0.0083
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0438 0.0453
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0974 0.1089
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0362 0.2334
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0566 0.0842
Brugia malayi jmjC domain containing protein 0.0016 0.0056 0.0083
Loa Loa (eye worm) hypothetical protein 0.0027 0.0544 0.0809
Mycobacterium leprae Probable lipase LipE 0.0037 0.1014 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.2005 0.2311
Schistosoma mansoni lamin 0.0027 0.0566 0.0605
Brugia malayi Cytochrome P450 family protein 0.0041 0.1194 0.1776
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0151 0.6141 0.7213
Onchocerca volvulus 0.01 0.3834 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0445 0.1443
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0566 0.0842
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0445 0.1443
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0438 0.0651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0438 0.0651
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0609 1
Trypanosoma cruzi cytochrome P450, putative 0.0041 0.1194 0.8677
Brugia malayi hypothetical protein 0.0164 0.6724 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0566 0.0842
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0662
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1367 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.2005 0.2311
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Echinococcus granulosus jun protein 0.0101 0.3879 0.4532
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0438 0.0453
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0609 0.2295
Onchocerca volvulus 0.0024 0.0445 0.0021
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0362 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1014 0.7308
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.2092 0.2413
Mycobacterium ulcerans lipase LipD 0.0037 0.1014 0.4402
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.1367 0.1555
Loa Loa (eye worm) beta-lactamase 0.0037 0.1014 0.1509
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0362 0.0363
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0445 0.0662
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0445 0.1443
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0609 0.4217
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0438 0.0651
Brugia malayi jmjC domain containing protein 0.0059 0.2005 0.2982
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0438 0.0453
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0438 0.0453
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0438 0.0651
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1014 0.1136
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.1014 0.0903
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0438 0.0651
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.2092 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0438 0.0651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0438 0.0651
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2092 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1014 0.1509
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.1014 0.1136
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1367 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0438 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0438 0.0651
Loa Loa (eye worm) hypothetical protein 0.0098 0.3755 0.5584
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0445 0.0826
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.2005 0.2311
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1367 0.1555
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0438 0.0651
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0167 0.0045
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.3879 0.4532
Echinococcus multilocularis thyroid hormone receptor alpha 0.0175 0.7232 0.8506
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0362 0.0538
Trichomonas vaginalis esterase, putative 0.0037 0.1014 0.6489
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0362 0.2334
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0438 0.0453
Brugia malayi hypothetical protein 0.0079 0.2906 0.4322
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.1014 0.1136
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1367 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0438 0.0453
Echinococcus multilocularis geminin 0.0203 0.8492 1
Echinococcus multilocularis jun protein 0.0101 0.3879 0.4532
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0445 0.1911
Brugia malayi jmjC domain containing protein 0.0059 0.2005 0.2982
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1367 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.1367 0.1555
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0445 0.1911
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.1367 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0445 0.0326
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0438 0.0651
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0609 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.1014 0.1509
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0438 0.0453
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0445 0.1443
Onchocerca volvulus 0.0037 0.1014 0.1698
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0438 0.0453
Brugia malayi ecdysteroid receptor 0.0024 0.0438 0.0651
Schistosoma mansoni thyroid hormone receptor 0.0175 0.7232 0.8506
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0438 0.0453
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0167 0.2016
Schistosoma mansoni ap endonuclease 0.0023 0.0362 0.0363
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0438 0.0453
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0445 0.1443
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0362 0.3193
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2092 1
Brugia malayi beta-lactamase family protein 0.0037 0.1014 0.1509
Brugia malayi intermediate filament protein 0.0027 0.0566 0.0842
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0445 0.0662
Loa Loa (eye worm) hypothetical protein 0.0018 0.0167 0.0249
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1014 0.1136
Brugia malayi beta-lactamase family protein 0.0037 0.1014 0.1509
Brugia malayi bZIP transcription factor family protein 0.0101 0.3879 0.5769
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0974 0.1449
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0609 0.288
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0438 0.0651
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0438 0.0453
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0438 0.0651
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.1367 0.2034
Brugia malayi Cytochrome P450 family protein 0.0041 0.1194 0.1776
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0445 0.0662
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0609 0.2717
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0445 0.1443
Schistosoma mansoni lamin 0.0027 0.0566 0.0605
Onchocerca volvulus 0.0036 0.0974 0.158
Schistosoma mansoni coup transcription factor 0.0024 0.0438 0.0453
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.1014 0.0903
Schistosoma mansoni jun-related protein 0.0082 0.303 0.3526
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.1014 0.0903
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0438 0.0651
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2092 0.2413
Onchocerca volvulus 0.0079 0.2906 0.7267
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.1014 0.0903
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0438 0.0651
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0609 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0167 0.0249
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0438 0.0453
Mycobacterium tuberculosis Conserved protein 0.0037 0.1014 0.0903
Loa Loa (eye worm) hypothetical protein 0.0045 0.1367 0.2034
Mycobacterium leprae conserved hypothetical protein 0.0037 0.1014 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.1014 0.0903
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.1194 0.1776
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0438 0.0453
Loa Loa (eye worm) hypothetical protein 0.0037 0.1014 0.1509
Brugia malayi steroid hormone receptor 0.0024 0.0438 0.0651
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.2005 0.2311
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1014 0.6489
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0362 0.0538
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1014 0.6489
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0167 0.1163
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.1014 0.4402
Schistosoma mansoni thyroid hormone receptor 0.0175 0.7232 0.8506
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0609 0.2717
Echinococcus granulosus single minded 2 0.0036 0.0974 0.1089
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.1367 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0362 0.2334
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1367 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0566 0.0605
Schistosoma mansoni hypothetical protein 0.0151 0.6141 0.7213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0438 0.0651
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.1194 0.1776
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0438 0.0453
Loa Loa (eye worm) hypothetical protein 0.0018 0.0167 0.0249
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0609 0.2717
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0438 0.0651
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0056 0.0083
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.0651
Echinococcus multilocularis lamin dm0 0.0027 0.0566 0.0605
Loa Loa (eye worm) hypothetical protein 0.0029 0.0663 0.0985
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0438 0.0453
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0083
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.1014 0.0903
Echinococcus multilocularis musashi 0.0027 0.0566 0.0605
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.3834 0.4479
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.1014 0.4402
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0438 0.0453
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0056 0.0083
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1367 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.3834 0.4479
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.3834 0.4479
Brugia malayi nuclear receptor NHR-88 0.0024 0.0438 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0438 0.0651
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.1014 0.0903
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0974 0.4194
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0438 0.0651
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0609 0.0492
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.2092 0.1993
Loa Loa (eye worm) hypothetical protein 0.0037 0.1014 0.1509
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.2005 0.2311
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1014 1
Brugia malayi beta-lactamase 0.0037 0.1014 0.1509
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.1546 0.1766
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0362 0.0363
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.1367 0.1555
Entamoeba histolytica hypothetical protein 0.0028 0.0609 0.2457
Mycobacterium tuberculosis Conserved protein 0.0037 0.1014 0.0903
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0445 0.0326
Loa Loa (eye worm) CYP4Cod1 0.0041 0.1194 0.1776
Mycobacterium ulcerans hypothetical protein 0.0024 0.0445 0.1443
Schistosoma mansoni ap endonuclease 0.0023 0.0362 0.0363
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.1014 0.0903
Brugia malayi jmjC domain containing protein 0.0016 0.0056 0.0083
Schistosoma mansoni single-minded 0.0049 0.1546 0.1766
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.1367 0.1555

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 25.79 mg hr l-1 Pharamacokinetic parameter AUC in mice following a single dose intravenous administration of the compound ChEMBL. 8627600
CLT (ADMET) = 1.38 Time taken for the administration to female NIH mice weighing 25-30 g. ChEMBL. 8627600
EC50 (functional) < 0.58 uM Effective concentration against HIV-1-infected CEM cells in mice administrated intraperitoneally ChEMBL. 8627600
fm (ADMET) = 0.36 The fraction of conjugate converted to the parent nucleoside (fm) was calculated from (AUC)( CLt ) / dose in female NIH mice weighing 25-30 g after ip adminstartion ChEMBL. 8627600
IC50 (functional) = 120 uM Ability to reduce viable cell number on HIV-1-infected CEM cells in mice after intraperitoneal administration ChEMBL. 8627600
T1/2 (ADMET) = 5.69 hr Time taken to decrease plasma concentration to half of its initial concentration after intraperitoneal administration ChEMBL. 8627600
TI50 (ADMET) > 207 Therapeutic index calculated from IC50 and EC50 values of the compound ChEMBL. 8627600

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.