Detailed information for compound 279313

Basic information

Technical information
  • TDR Targets ID: 279313
  • Name: 4-[(E)-N-[(2-methylpropan-2-yl)oxy]-C-(3,5,5, 8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ca rbonimidoyl]benzoic acid
  • MW: 421.572 | Formula: C27H35NO3
  • H donors: 1 H acceptors: 2 LogP: 7.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2c(cc1/C(=N/OC(C)(C)C)/c1ccc(cc1)C(=O)O)C(C)(C)CCC2(C)C
  • InChi: 1S/C27H35NO3/c1-17-15-21-22(27(7,8)14-13-26(21,5)6)16-20(17)23(28-31-25(2,3)4)18-9-11-19(12-10-18)24(29)30/h9-12,15-16H,13-14H2,1-8H3,(H,29,30)/b28-23+
  • InChiKey: IRYDQALSBKMVMT-WEMUOSSPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(E)-N-tert-butoxy-C-(1,1,4,4,7-pentamethyltetralin-6-yl)carbonimidoyl]benzoic acid
  • 4-[(E)-tert-butoxyimino-(1,1,4,4,7-pentamethyl-6-tetralinyl)methyl]benzoic acid
  • 4-[N-[(2-methylpropan-2-yl)oxy]-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid
  • 4-[N-tert-butoxy-C-(1,1,4,4,7-pentamethyltetralin-6-yl)carbonimidoyl]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoid X receptor, alpha Starlite/ChEMBL References
Homo sapiens retinoid X receptor, beta Starlite/ChEMBL References
Homo sapiens retinoid X receptor, gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni retinoic acid receptor RXR Get druggable targets OG5_130073 All targets in OG5_130073
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha Get druggable targets OG5_130073 All targets in OG5_130073
Schistosoma japonicum ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative Get druggable targets OG5_130073 All targets in OG5_130073
Echinococcus granulosus retinoic acid receptor rxr beta a Get druggable targets OG5_130073 All targets in OG5_130073
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor retinoid X receptor, alpha 435 aa 352 aa 23.9 %
Brugia malayi ecdysteroid receptor retinoid X receptor, gamma 340 aa 338 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0253 0.0127 0.0383
Trypanosoma cruzi cytochrome P450, putative 0.0186 0.0088 0.0088
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0011 0.0011
Mycobacterium ulcerans thymidylate synthase 0.2121 0.1213 0.365
Trypanosoma cruzi ISWI complex protein 0.0074 0.0023 0.0023
Echinococcus multilocularis 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.002 0.0059
Loa Loa (eye worm) hypothetical protein 0.034 0.0178 0.0178
Brugia malayi Cytochrome P450 family protein 0.0186 0.0088 0.0088
Loa Loa (eye worm) bromodomain containing protein 0.0085 0.003 0.0029
Giardia lamblia Fructose-bisphosphate aldolase 0.0329 0.0171 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0011 0.0011
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0044 0.0006 0.0006
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0059 0.0014 0.0014
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0059 0.0014 0.0043
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0089 0.0032 0.0032
Loa Loa (eye worm) glutathione reductase 0.0053 0.0011 0.0011
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0121 0.0051 0.0152
Brugia malayi latrophilin 2 splice variant baaae 0.0193 0.0092 0.0092
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0059 0.0014 0.0043
Echinococcus granulosus zinc finger protein 0.0094 0.0035 0.0105
Leishmania major hypothetical protein, conserved 0.0205 0.0099 0.0099
Loa Loa (eye worm) glutaminase 0.1289 0.0729 0.0729
Echinococcus granulosus methyl CpG binding domain protein 2 0.0082 0.0028 0.0084
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.002 0.0059
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.4898 0.2827 0.2827
Treponema pallidum fructose-bisphosphate aldolase 0.0329 0.0171 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.002 0.0069
Trypanosoma brucei phospholipase A1, putative 1.7239 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.002 0.002
Brugia malayi Cytochrome P450 family protein 0.0059 0.0014 0.0014
Brugia malayi Latrophilin receptor protein 2 0.0089 0.0032 0.0032
Echinococcus granulosus fetal alzheimer antigen falz 0.0108 0.0043 0.013
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.002 0.0059
Onchocerca volvulus 0.0044 0.0006 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.002 0.0059
Schistosoma mansoni dihydrofolate reductase 0.5752 0.3324 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0059 0.0014 0.0014
Trypanosoma cruzi cytochrome P450, putative 0.0186 0.0088 0.0088
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0059 0.0014 0.0043
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0011 0.0032
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0059 0.0014 0.0043
Echinococcus multilocularis geminin 0.0191 0.0091 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Schistosoma mansoni cytochrome P450 0.0059 0.0014 0.0043
Brugia malayi hypothetical protein 0.1009 0.0567 0.0567
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0011 0.0033
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0059 0.0014 0.0043
Schistosoma mansoni methyl-cpg binding protein mbd 0.0082 0.0028 0.0084
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.4898 0.2827 0.2827
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0089 0.0032 0.0096
Brugia malayi dihydrofolate reductase family protein 0.5752 0.3324 0.3324
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.0058 0.0175
Trichomonas vaginalis conserved hypothetical protein 0.1009 0.0567 0.7359
Echinococcus granulosus dihydrofolate reductase 0.5752 0.3324 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1194 0.0674 0.0674
Trichomonas vaginalis glutaminase, putative 0.1289 0.0729 0.9473
Mycobacterium tuberculosis Hypothetical protein 0.1009 0.0567 0.1705
Schistosoma mansoni survival motor neuron protein 0.0041 0.0004 0.0012
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0082 0.0028 0.0084
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0171 0.008 0.0281
Echinococcus granulosus survival motor neuron protein 1 0.0202 0.0097 0.0293
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0108 0.0043 0.013
Chlamydia trachomatis dihydrofolate reductase 0.5752 0.3324 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.0051 0.0152
Loa Loa (eye worm) cytochrome P450 family protein 0.0186 0.0088 0.0088
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0287 0.0147 0.0442
Trypanosoma cruzi phospholipase A1, putative 1.7239 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0329 0.0171 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.5752 0.3324 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0059 0.0014 0.0043
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0011 0.0038
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0059 0.0014 0.0014
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.002 0.006
Trypanosoma cruzi ISWI complex protein 0.0074 0.0023 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0059 0.0014 0.0043
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0014 0.0014
Onchocerca volvulus 0.2121 0.1213 0.1213
Loa Loa (eye worm) hypothetical protein 0.0205 0.0099 0.0099
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0059 0.0014 0.0043
Toxoplasma gondii cytochrome p450 superfamily protein 0.0059 0.0014 0.005
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0059 0.0014 0.0043
Onchocerca volvulus 1.7239 1 1
Echinococcus multilocularis thymidylate synthase 0.2121 0.1213 0.365
Brugia malayi hypothetical protein 0.0202 0.0097 0.0097
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0059 0.0014 0.0043
Brugia malayi Calcitonin receptor-like protein seb-1 0.0282 0.0144 0.0144
Leishmania major phospholipase A1, putative 1.7239 1 1
Trichomonas vaginalis set domain proteins, putative 0.1359 0.077 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0089 0.0032 0.0032
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0186 0.0088 0.0266
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.2121 0.1213 0.365
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.0051 0.0152
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0161 0.0073 0.022
Onchocerca volvulus 0.0041 0.0004 0.0004
Brugia malayi Thioredoxin reductase 0.0053 0.0011 0.0011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0089 0.0032 0.0096
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0173 0.0081 0.0242
Brugia malayi Pre-SET motif family protein 0.0171 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0127 0.0054 0.0054
Echinococcus granulosus histone lysine methyltransferase setb 0.0253 0.0127 0.0383
Loa Loa (eye worm) hypothetical protein 0.0282 0.0144 0.0144
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0059 0.0014 0.0043
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.5752 0.3324 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0282 0.0144 0.0144
Brugia malayi Bromodomain containing protein 0.0361 0.019 0.019
Schistosoma mansoni zinc finger protein 0.0074 0.0023 0.0069
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0041 0.0004 0.0004
Mycobacterium tuberculosis Probable reductase 0.0121 0.0051 0.0152
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0059 0.0014 0.0043
Mycobacterium leprae Conserved hypothetical protein 0.0059 0.0014 0.0043
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0011 0.0033
Mycobacterium leprae putative cytochrome p450 0.0059 0.0014 0.0043
Schistosoma mansoni glutaminase 0.1289 0.0729 0.2195
Echinococcus multilocularis zinc finger protein 0.0094 0.0035 0.0105
Plasmodium vivax glutathione reductase, putative 0.0053 0.0011 0.0038
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0059 0.0014 0.0043
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0059 0.0014 0.0043
Leishmania major dihydrofolate reductase-thymidylate synthase 0.4898 0.2827 0.2827
Leishmania major cytochrome p450-like protein 0.0186 0.0088 0.0088
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.0051 0.0152
Loa Loa (eye worm) MH2 domain-containing protein 0.0102 0.0039 0.0039
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.2121 0.1213 0.365
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0059 0.0014 0.0043
Loa Loa (eye worm) hypothetical protein 0.0202 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0196 0.0094 0.0094
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0329 0.0171 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0059 0.0014 0.0043
Schistosoma mansoni hypothetical protein 0.0089 0.0032 0.0096
Trypanosoma brucei ISWI complex protein 0.0074 0.0023 0.0023
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0165 0.0076 0.0229
Brugia malayi Dihydrofolate reductase 0.5752 0.3324 0.3324
Trypanosoma cruzi phospholipase A2-like protein, putative 0.7905 0.4575 0.4575
Loa Loa (eye worm) glutaminase 2 0.1289 0.0729 0.0729
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0059 0.0014 0.0043
Leishmania major cytochrome p450-like protein 0.0059 0.0014 0.0014
Brugia malayi Cytochrome P450 family protein 0.0059 0.0014 0.0014
Schistosoma mansoni zinc finger protein 0.0094 0.0035 0.0105
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Onchocerca volvulus 1.7239 1 1
Toxoplasma gondii thioredoxin reductase 0.0053 0.0011 0.0038
Loa Loa (eye worm) thymidylate synthase 0.2121 0.1213 0.1213
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0059 0.0014 0.0043
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0173 0.0081 0.0242
Echinococcus granulosus GPCR family 2 0.0089 0.0032 0.0096
Brugia malayi glutaminase DH11.1 0.1289 0.0729 0.0729
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.0058 0.0175
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0059 0.0014 0.0043
Echinococcus multilocularis dihydrofolate reductase 0.5752 0.3324 1
Schistosoma mansoni retinoic acid receptor RXR 0.047 0.0253 0.0762
Echinococcus granulosus geminin 0.0191 0.0091 0.0273
Leishmania major trypanothione reductase 0.0053 0.0011 0.0011
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0059 0.0014 0.0043
Brugia malayi glutathione reductase 0.0053 0.0011 0.0011
Schistosoma mansoni microtubule-associated protein tau 0.1432 0.0812 0.2444
Trypanosoma cruzi phospholipase A1, putative 1.7239 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0171 0.008 0.024
Brugia malayi MH2 domain containing protein 0.0102 0.0039 0.0039
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.002 0.006
Schistosoma mansoni hypothetical protein 0.0191 0.0091 0.0273
Echinococcus granulosus retinoic acid receptor rxr beta a 0.047 0.0253 0.0762
Onchocerca volvulus 1.7239 1 1
Echinococcus multilocularis microtubule associated protein 2 0.1432 0.0812 0.2444
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.4898 0.2827 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1009 0.0567 0.0567
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.0051 0.0152
Loa Loa (eye worm) PHD-finger family protein 0.0099 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0253 0.0127 0.0127
Schistosoma mansoni methyl-cpg binding protein mbd 0.0082 0.0028 0.0084
Trypanosoma brucei trypanothione reductase 0.0053 0.0011 0.0011
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.0051 0.0152
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0059 0.0014 0.0014
Schistosoma mansoni cellular tumor antigen P53 0.0044 0.0006 0.0018
Brugia malayi thymidylate synthase 0.2121 0.1213 0.1213
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0 0.0001
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0059 0.0014 0.0043
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 1.7239 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.4898 0.2827 1
Plasmodium vivax SET domain protein, putative 0.0171 0.008 0.0281
Loa Loa (eye worm) dihydrofolate reductase 0.5752 0.3324 0.3324
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0059 0.0014 0.0043
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0161 0.0073 0.022
Echinococcus multilocularis survival motor neuron protein 1 0.0202 0.0097 0.0293
Schistosoma mansoni hypothetical protein 0.0041 0.0004 0.0012
Schistosoma mansoni hypothetical protein 0.0191 0.0091 0.0273
Onchocerca volvulus 0.0171 0.008 0.0079
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.4898 0.2827 1
Trypanosoma cruzi hypothetical protein, conserved 0.0205 0.0099 0.0099
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0221 0.0109 0.0326
Echinococcus granulosus tumor protein p63 0.0303 0.0156 0.047
Echinococcus multilocularis GPCR, family 2 0.0089 0.0032 0.0096
Brugia malayi cytochrome P450 0.0059 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0089 0.0032 0.0096
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0059 0.0014 0.0043
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0059 0.0014 0.0043
Leishmania major cytochrome p450-like protein 0.0059 0.0014 0.0014
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0089 0.0032 0.0096
Loa Loa (eye worm) hypothetical protein 0.0089 0.0032 0.0032
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.002 0.006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0253 0.0127 0.0383
Brugia malayi PHD-finger family protein 0.012 0.005 0.005
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0161 0.0073 0.022
Loa Loa (eye worm) transcription factor SMAD2 0.0102 0.0039 0.0039
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0282 0.0144 0.0144
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0059 0.0014 0.0043
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.002 0.006
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0059 0.0014 0.0043
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.2121 0.1213 0.365
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.5752 0.3324 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0059 0.0014 0.0014
Trypanosoma brucei hypothetical protein, conserved 0.0205 0.0099 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.0205 0.0099 0.0099
Loa Loa (eye worm) CYP4Cod1 0.0186 0.0088 0.0088
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0171 0.008 0.024
Loa Loa (eye worm) hypothetical protein 0.0193 0.0092 0.0092
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0059 0.0014 0.0043
Brugia malayi Pre-SET motif family protein 0.1194 0.0674 0.0674
Schistosoma mansoni hypothetical protein 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0059 0.0014 0.0043
Schistosoma mansoni hypothetical protein 0.0074 0.0023 0.0069
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0059 0.0014 0.0043
Brugia malayi Cytochrome P450 family protein 0.0186 0.0088 0.0088
Loa Loa (eye worm) cytochrome P450 0.0059 0.0014 0.0014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 0.0171 0.222
Schistosoma mansoni hypothetical protein 0.0193 0.0092 0.0277
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0452 0.0243 0.0731
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0059 0.0014 0.0043
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0059 0.0014 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0253 0.0127 0.0383
Schistosoma mansoni bromodomain containing protein 0.0304 0.0157 0.0473
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0059 0.0014 0.0043
Loa Loa (eye worm) hypothetical protein 0.0185 0.0087 0.0087
Loa Loa (eye worm) cytochrome P450 family protein 0.0186 0.0088 0.0088
Echinococcus granulosus thymidylate synthase 0.2121 0.1213 0.365
Echinococcus multilocularis tumor protein p63 0.0303 0.0156 0.047
Mycobacterium ulcerans glutaminase 0.1289 0.0729 0.2194
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0089 0.0032 0.0096
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.0058 0.0175
Schistosoma mansoni hypothetical protein 0.0089 0.0032 0.0096
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0059 0.0014 0.0043
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0 0.0001
Brugia malayi Bromodomain containing protein 0.0184 0.0087 0.0087
Echinococcus granulosus microtubule associated protein 2 0.1432 0.0812 0.2444
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0059 0.0014 0.0043
Trypanosoma cruzi phospholipase A2-like protein, putative 0.7905 0.4575 0.4575
Schistosoma mansoni hypothetical protein 0.0089 0.0032 0.0096
Echinococcus granulosus cytochrome P450 2K1 0.0059 0.0014 0.0043
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0287 0.0147 0.0442
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.0058 0.0175
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0 0.0001
Schistosoma mansoni hypothetical protein 0.0099 0.0038 0.0114
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0108 0.0043 0.013
Leishmania major hypothetical protein, conserved 0.0074 0.0023 0.0023
Trypanosoma brucei cytochrome P450, putative 0.0186 0.0088 0.0088
Onchocerca volvulus 0.1359 0.077 0.077
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0059 0.0014 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0171 0.008 0.024

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 100000 nM Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha ChEMBL. 10052980
EC50 (functional) > 100000 nM Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta ChEMBL. 10052980
EC50 (functional) > 100000 nM Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma ChEMBL. 10052980
EC50 (functional) > 100000 nM Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha ChEMBL. 10052980
EC50 (functional) > 100000 nM Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta ChEMBL. 10052980
EC50 (functional) > 100000 nM Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma ChEMBL. 10052980
Ki (binding) = 445 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) = 445 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) = 484 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) = 484 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) = 623 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) = 623 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) > 1000 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) > 1000 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980
Ki (binding) > 1000 nM Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay ChEMBL. 10052980

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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