Detailed information for compound 330666

Basic information

Technical information
  • TDR Targets ID: 330666
  • Name: 4-[3-(1-adamantyl)-4-hydroxyphenyl]benzoic ac id
  • MW: 348.435 | Formula: C23H24O3
  • H donors: 2 H acceptors: 3 LogP: 6.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)O
  • InChi: 1S/C23H24O3/c24-21-6-5-19(17-1-3-18(4-2-17)22(25)26)10-20(21)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16,24H,7-9,11-13H2,(H,25,26)
  • InChiKey: MCZHHYMRHVFKKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-(1-adamantyl)-4-hydroxy-phenyl]benzoic acid

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
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0228 0.0714
Schistosoma mansoni nuclear hormone receptor 0.001 0.0059 0.007
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0059 0.007
Mycobacterium ulcerans hypothetical protein 0.0014 0.0112 0.0315
Loa Loa (eye worm) IMP dehydrogenase 1 0.0238 0.2931 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0059 0.0202
Onchocerca volvulus 0.0007 0.002 0.0068
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0687 0.2293
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0154 0.0459
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.069 0.0812
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0228 0.0778
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0238 0.2931 1
Toxoplasma gondii CBS domain-containing protein 0.0014 0.0112 0.0355
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0014 0.0112 0.0354
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0224 0.064
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0238 0.2931 0.2931
Toxoplasma gondii propionate-CoA ligase 0.0007 0.002 0.0042
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.029 0.099
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0059 0.007
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0056 0.0165
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0056 0.0059
Onchocerca volvulus 0.001 0.0056 0.0267
Chlamydia trachomatis Mg++ transporter 0.0014 0.0112 0.3319
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0191
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0966 0.3295
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0059 0.007
Schistosoma mansoni apoferritin-2 0.0008 0.0039 0.0046
Brugia malayi ancient conserved domain protein 4 0.0014 0.0112 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0059 0.0202
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0014 0.0112 0.0131
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Giardia lamblia Hypothetical protein 0.0014 0.0112 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0238 0.2931 1
Mycobacterium ulcerans hypothetical protein 0.0014 0.0112 0.0315
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0687 0.0809
Schistosoma mansoni topbp1 0.001 0.0056 0.0066
Mycobacterium ulcerans cystathionine beta-synthase 0.0014 0.0112 0.0315
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0059 0.0059
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0039 0.0106
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0228 0.0714
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0014 0.0112 0.0355
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Conserved protein 0.0014 0.0112 0.0354
Leishmania major guanosine monophosphate reductase 0.0238 0.2931 1
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0014 0.0112 0.0315
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0056 0.0934
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0458 0.0458
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.002 0.002
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0458 0.0539
Brugia malayi hypothetical protein 0.0006 0.0008 0.0027
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0039 0.0065
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0014 0.0112 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.1156 0.1156
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.002 0.0042
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0524
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0224 0.2753 0.9389
Echinococcus multilocularis cpg binding protein 0.003 0.0311 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0059 0.0202
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0059 0.007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0014 0.0112 0.0315
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0056 0.0175
Onchocerca volvulus 0.0082 0.0966 0.5317
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.002 0.0041
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0228 0.0714
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0458 0.1563
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Brugia malayi hypothetical protein 0.0006 0.0008 0.0027
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0056 0.0165
Schistosoma mansoni hypothetical protein 0.0404 0.5011 0.5895
Brugia malayi ecdysteroid receptor 0.001 0.0059 0.0202
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Brugia malayi hypothetical protein 0.0006 0.0008 0.0027
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0056 0.0934
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.1156 1
Loa Loa (eye worm) chloride channel 3 0.0014 0.0112 0.0381
Trypanosoma cruzi GMP reductase 0.0238 0.2931 1
Entamoeba histolytica hypothetical protein 0.0036 0.038 0.3171
Plasmodium falciparum protein MAM3, putative 0.0014 0.0112 0.0378
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Echinococcus multilocularis nibrin 0.001 0.0056 0.0056
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0238 0.2931 0.3448
Trypanosoma cruzi chloride channel protein, putative 0.0014 0.0112 0.0315
Schistosoma mansoni hypothetical protein 0.004 0.0439 0.0517
Schistosoma mansoni chloride channel protein 0.0014 0.0112 0.0131
Schistosoma mansoni topbp1 0.001 0.0056 0.0066
Trichomonas vaginalis ferritin, putative 0.0008 0.0039 0.0551
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0228 0.0714
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0687 0.2293
Mycobacterium ulcerans hypothetical protein 0.0014 0.0112 0.0315
Brugia malayi ancient conserved domain protein 2 0.0014 0.0112 0.0381
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0056 0.0934
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0059 0.007
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0059 0.007
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0224 0.0739
Brugia malayi Patched related family protein 10 0.0006 0.0008 0.0027
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0224 0.07
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus multilocularis protein patched 0.0042 0.0458 0.0458
Trypanosoma cruzi Domain of unknown function DUF21, putative 0.0014 0.0112 0.0315
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0059 0.0202
Schistosoma mansoni ferritin 0.0008 0.0039 0.0046
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0224 0.07
Brugia malayi hypothetical protein 0.0006 0.0008 0.0027
Chlamydia trachomatis CBS domain-containing protein 0.0014 0.0112 0.3319
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0059 0.0059
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0059 0.007
Brugia malayi AMP-binding enzyme family protein 0.0007 0.002 0.0069
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0687 0.0687
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0228 0.0778
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0238 0.2931 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0154 0.5813
Trypanosoma brucei AMP-activated protein kinase, gamma regulatory subunit 0.0014 0.0112 0.0315
Schistosoma mansoni DNA ligase IV 0.001 0.0056 0.0066
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0125 0.1507 0.513
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.168 0.168
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.002 0.0127
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0238 0.2931 1
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0056 0.0123
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0014 0.0112 0.0381
Loa Loa (eye worm) loechrig isoform VII 0.0014 0.0112 0.0381
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0687 0.0809
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0059 0.0059
Loa Loa (eye worm) patched family protein 0.0006 0.0008 0.0027
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.1156 0.3944
Schistosoma mansoni hypothetical protein 0.004 0.0439 0.0517
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0228 0.183
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Trypanosoma cruzi chloride channel protein, putative 0.0014 0.0112 0.0315
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0056 0.0934
Loa Loa (eye worm) chloride channel protein 7 0.0014 0.0112 0.0381
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0014 0.0112 0.0131
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Schistosoma mansoni hypothetical protein 0.004 0.0439 0.0517
Schistosoma mansoni microtubule-associated protein tau 0.0681 0.85 1
Schistosoma mansoni patched 1 0.0042 0.0458 0.0539
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0014 0.0112 0.0315
Echinococcus multilocularis microtubule associated protein 2 0.0681 0.85 0.85
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0059 0.007
Onchocerca volvulus 0.0007 0.002 0.0068
Brugia malayi hypothetical protein 0.001 0.0056 0.0191
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0056 0.0175
Onchocerca volvulus 0.001 0.0059 0.0285
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.002 0.0041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0059 0.0202
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.002 0.0024
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0228 0.0714
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0524
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.002 0.0069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0142 0.0457
Loa Loa (eye worm) hypothetical protein 0.0014 0.0112 0.0381
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0059 0.0059
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0056 0.0934
Loa Loa (eye worm) hypothetical protein 0.0007 0.002 0.0069
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0228 0.0714
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Brugia malayi CLC chloride channel protein 0.0014 0.0112 0.0381
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0154 0.0531
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0142 0.0457
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0238 0.2931 1
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0966 0.1136
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0458 0.0539
Brugia malayi chloride channel protein 7 0.0014 0.0112 0.0381
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.002 0.0041
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0056 0.0191
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0224 0.2753 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0059 0.007
Leishmania major chloride channel protein, putative 0.0014 0.0112 0.0315
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0224 0.2753 1
Echinococcus granulosus H:Cl exchange transporter 7 0.0014 0.0112 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0059 0.0202
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0056 0.0934
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0059 0.0285
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0014 0.0112 0.0354
Treponema pallidum DNA ligase (lig) 0.001 0.0056 0.0917
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0059 0.007
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0687 0.2325
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0059 0.0285
Entamoeba histolytica hypothetical protein 0.001 0.0056 0.0315
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Schistosoma mansoni protein kinase subunit gamma 0.0014 0.0112 0.0131
Loa Loa (eye worm) hypothetical protein 0.0042 0.0458 0.1563
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0044 0.015
Schistosoma mansoni cpg binding protein 0.0028 0.029 0.0341
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0191
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0014 0.0112 0.0354
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0039 0.0106
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0059 0.007
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.002 0.0041
Loa Loa (eye worm) hypothetical protein 0.0023 0.0228 0.0778
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0224 0.0739
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0458 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.029 0.099
Trypanosoma brucei Voltage-gated Chloride channel Like 1 0.0014 0.0112 0.0315
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0687 0.0809
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0059 0.0059
Echinococcus multilocularis protein dispatched 1 0.0048 0.0532 0.0532
Loa Loa (eye worm) GMP reductase 0.0099 0.1179 0.4024
Echinococcus granulosus cpg binding protein 0.003 0.0311 0.0365
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0113 0.1357 0.4594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0059 0.0202
Brugia malayi loechrig isoform VII 0.0014 0.0112 0.0381
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0966 0.0966
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.1175 0.1382
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0014 0.0112 0.0112
Brugia malayi hypothetical protein 0.0036 0.038 0.1298
Toxoplasma gondii CBS domain-containing protein 0.0014 0.0112 0.0355
Loa Loa (eye worm) hypothetical protein 0.0014 0.0112 0.0381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0052
Toxoplasma gondii CBS family protein 0.0014 0.0112 0.0355
Echinococcus granulosus H:Cl exchange transporter 4 0.0014 0.0112 0.0131
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0059 0.007
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.038 0.0447
Trypanosoma cruzi GMP reductase 0.0238 0.2931 1
Brugia malayi hypothetical protein 0.0149 0.181 0.6174
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0966 0.1136
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0228 0.0714
Loa Loa (eye worm) patched family protein 0.0006 0.0008 0.0027
Brugia malayi Patched protein homolog 1 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0687 0.2324
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0099 0.1179 0.4024
Onchocerca volvulus 0.0023 0.0228 0.1222
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0039 0.0065
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0014 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.002 0.0041
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0228 0.0714
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0224 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0056 0.0934
Trypanosoma cruzi chloride channel protein, putative 0.0014 0.0112 0.0315
Schistosoma mansoni chloride channel protein 0.0014 0.0112 0.0131
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.002 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.168 0.1977
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0059 0.0285
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.002 0.0041
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0039 0.0065
Echinococcus granulosus dnaJ subfamily B 0.0404 0.5011 0.5895
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0059 0.007
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0056 0.0315
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0059 0.0202
Brugia malayi Myosin head containing protein 0.0006 0.0008 0.0027
Brugia malayi AMP-binding enzyme family protein 0.0007 0.002 0.0069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0142 0.0457
Onchocerca volvulus 0.0028 0.029 0.1567
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0056 0.0066
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.002 0.0045
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0056 0.0123
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0228 0.0778
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0022 0.0026
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0228 0.183
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0022 0.0026
Loa Loa (eye worm) hypothetical protein 0.0051 0.0576 0.1966
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0014 0.0112 0.0112
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0099 0.1179 0.4024
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0224 0.0787
Brugia malayi nuclear receptor NHR-88 0.001 0.0059 0.0202
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0056 0.0123
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.1156 0.136
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0007 0.002 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0014 0.0112 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0056 0.0934
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Trypanosoma brucei Voltage-gated Chloride channel Like 3 0.0014 0.0112 0.0315
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0059 0.0202
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0056 0.0056
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0014 0.0112 0.0252
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.002 0.0024
Echinococcus multilocularis ferritin 0.0008 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0191
Brugia malayi Patched related family protein 12 0.0006 0.0008 0.0027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0191
Treponema pallidum hemolysin (tlyC) 0.0014 0.0112 0.3931
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0524
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0014 0.0112 0.3319
Loa Loa (eye worm) hypothetical protein 0.0023 0.0228 0.0778
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0014 0.0112 0.0131
Schistosoma mansoni ferritin 0.0008 0.0039 0.0046
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.002 0.0069
Onchocerca volvulus 0.0014 0.0112 0.0577
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0014 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0191
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0022 0.0022
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Brugia malayi steroid hormone receptor 0.001 0.0059 0.0202
Treponema pallidum Mg2+ transport protein (mgtE) 0.0014 0.0112 0.3931
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0059 0.007
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0238 0.2931 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0228 0.0714
Mycobacterium leprae conserved hypothetical protein 0.0014 0.0112 0.0315
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0228 0.0714
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Brugia malayi CHE-14 protein 0.0042 0.0458 0.1563
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0228 0.183
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0238 0.2931 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0059 0.0202
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0224 0.07
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0022 0.0026
Loa Loa (eye worm) patched family protein 0.0006 0.0008 0.0027
Echinococcus multilocularis expressed protein 0.0008 0.0039 0.0039
Entamoeba histolytica hypothetical protein 0.0036 0.038 0.3171
Trypanosoma brucei GMP reductase 0.0238 0.2931 1
Echinococcus granulosus expressed conserved protein 0.0091 0.1082 0.1273
Loa Loa (eye worm) hypothetical protein 0.0023 0.0228 0.0778
Brugia malayi GMP reductase 0.0099 0.1179 0.4024
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.002 0.0041
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.002 0.0041
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0056 0.0123
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0059 0.0202
Schistosoma mansoni ferritin 0.0008 0.0039 0.0046
Brugia malayi nuclear hormone receptor 0.001 0.0059 0.0202
Leishmania major inosine-5-monophosphate dehydrogenase 0.0238 0.2931 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Conserved protein 0.0014 0.0112 0.0354
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0154 0.0498
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0043 0.0145
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Onchocerca volvulus 0.0007 0.002 0.0068
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0142 0.0457
Brugia malayi AMP-binding enzyme family protein 0.0007 0.002 0.0069
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.002 0.0069
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0228 0.0714
Schistosoma mansoni coup transcription factor 0.001 0.0059 0.007
Schistosoma mansoni apoferritin-2 0.0008 0.0039 0.0046
Schistosoma mansoni hypothetical protein 0.004 0.0439 0.0517
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.002 0.0127
Schistosoma mansoni ferritin 0.0008 0.0039 0.0046
Loa Loa (eye worm) oxidoreductase 0.0007 0.002 0.0069
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0687 0.2293
Leishmania major chloride channel protein, putative 0.0014 0.0112 0.0315
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0238 0.2931 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0059 0.007
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0224 0.0739
Trypanosoma cruzi chloride channel protein, putative 0.0014 0.0112 0.0315
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0059 0.0059
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0154 0.0531
Mycobacterium tuberculosis Conserved protein 0.0014 0.0112 0.0354
Mycobacterium ulcerans transcriptional regulator 0.0014 0.0112 0.0315
Leishmania major hypothetical protein, conserved 0.0014 0.0112 0.0315
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Toxoplasma gondii IMP dehydrogenas 0.0238 0.2931 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.002 0.0069
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0056 0.0934
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0228 0.0714
Echinococcus granulosus microtubule associated protein 2 0.0681 0.85 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus multilocularis dnaJ subfamily B 0.0404 0.5011 0.5011
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0059 0.0202
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0056 0.0123
Schistosoma mansoni chloride channel protein 0.0014 0.0112 0.0131
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0224 0.0787
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0113 0.1357 0.4594
Schistosoma mansoni cpg binding protein 0.003 0.0311 0.0365
Onchocerca volvulus Putative GMP reductase 0.0099 0.1179 0.6502
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0056 0.0123
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.2809 0.9583
Brugia malayi DKFZp564C0469 protein 0.001 0.0056 0.0191
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Onchocerca volvulus 0.0007 0.002 0.0068
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0228 0.0752
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0238 0.2931 0.3448
Loa Loa (eye worm) hypothetical protein 0.0097 0.1156 0.3944
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0059 0.0202
Schistosoma mansoni hypothetical protein 0.0036 0.038 0.0447
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0014 0.0112 0.0381
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0687 0.2293
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Leishmania major CBS domain protein, conserved 0.0014 0.0112 0.0315
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0524
Entamoeba histolytica hypothetical protein 0.0036 0.038 0.3171
Brugia malayi hypothetical protein 0.001 0.0056 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0059 0.0202
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0228 0.0714
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0224 0.07
Entamoeba histolytica hypothetical protein 0.0036 0.038 0.3171
Brugia malayi protein C24B5.3 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0202
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0056 0.0123
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0014 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0014 0.0112 0.0131
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0059 0.0202
Loa Loa (eye worm) patched family protein 0.0006 0.0008 0.0027
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0014 0.0112 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0059 0.0202
Schistosoma mansoni thyroid hormone receptor 0.001 0.0059 0.007
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0125 0.1507 0.5109
Schistosoma mansoni ferritin light chain 0.0008 0.0039 0.0046
Brugia malayi Patched related family protein 4 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0014 0.0112 0.0354
Brugia malayi topoisomerase 0.001 0.0056 0.0191
Brugia malayi follicle stimulating hormone receptor 0.0229 0.2809 0.9583
Entamoeba histolytica hypothetical protein 0.0023 0.0224 0.1795
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.002 0.0041
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0059 0.0202
Echinococcus granulosus FTZ F1 alpha 0.001 0.0059 0.007
Onchocerca volvulus 0.0149 0.181 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0056 0.0191
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.002 0.0041
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0059 0.007
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0059 0.0059
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.002 0.0042
Loa Loa (eye worm) patched family protein 0.0006 0.0008 0.0027
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0224 0.07
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0014 0.0112 0.0252
Schistosoma mansoni ferritin light chain 0.0008 0.0039 0.0046
Schistosoma mansoni cpg binding protein 0.003 0.0311 0.0365
Echinococcus granulosus H:Cl exchange transporter 3 0.0014 0.0112 0.0131
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Schistosoma mansoni thyroid hormone receptor 0.001 0.0059 0.007
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.002 0.0041
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0059 0.007
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0014 0.0112 0.0112
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0238 0.2931 1
Echinococcus multilocularis expressed conserved protein 0.0091 0.1082 0.1082
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0228 0.0752
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0056 0.0191
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0014 0.0112 0.0354
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0014 0.0112 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0056 0.0934
Echinococcus granulosus nibrin 0.001 0.0056 0.0066
Echinococcus granulosus ferritin 0.0008 0.0039 0.0046
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0014 0.0112 0.0354
Brugia malayi protein C24B5.3 0.0006 0.0008 0.0027
Brugia malayi Voltage gated chloride channel family protein 0.0014 0.0112 0.0381
Brugia malayi Patched family protein 0.0006 0.0008 0.0027
Echinococcus granulosus expressed protein 0.0008 0.0039 0.0046
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0059 0.0059
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.038 0.0447
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0059 0.0202
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0609 0.2057
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0149 0.181 0.6174
Loa Loa (eye worm) hypothetical protein 0.0082 0.0966 0.3295
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0014 0.0112 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0059 0.0202
Brugia malayi CBS domain containing protein 0.0014 0.0112 0.0381
Echinococcus granulosus replication factor c subunit 1 0.001 0.0056 0.0066
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0027
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.002 0.0069

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 3 uM Concentration of compound required for inhibition of (IGROV-1) human ovarian carcinoma cell growth by 50% ChEMBL. 16033272
IC50 (functional) > 3 uM Concentration of compound required for inhibition of (IGROV-1/Pt1) human cisplatin resistant ovarian carcinoma cell growth by 50% ChEMBL. 16033272
IC50 (functional) > 3 uM Concentration of compound required for inhibition of (IGROV-1) human ovarian carcinoma cell growth by 50% ChEMBL. 16033272
IC50 (functional) = 35.2 uM Concentration of compound required for inhibition of (NB4) human promyelocytic leukemia cell growth by 50% ChEMBL. 16033272
IC50 (functional) = 35.2 uM Concentration of compound required for inhibition of (NB4) human promyelocytic leukemia cell growth by 50% ChEMBL. 16033272

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 16033272

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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