Detailed information for compound 302995

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.306 | Formula: C17H14N2O
  • H donors: 0 H acceptors: 2 LogP: 3.05 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)C(=CC2(C)C)n1ccccc1=O
  • InChi: 1S/C17H14N2O/c1-17(2)10-15(19-8-4-3-5-16(19)20)13-9-12(11-18)6-7-14(13)17/h3-10H,1-2H3
  • InChiKey: DFTHRUQSBPCHQN-UHFFFAOYSA-N  


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
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0074 0.0365 0.3748
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0074 0.0365 0.3748
Loa Loa (eye worm) carboxylesterase 0.0168 0.0948 0.1557
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0168 0.0948 0.1557
Brugia malayi MH2 domain containing protein 0.0117 0.0635 0.1043
Mycobacterium tuberculosis Carboxylesterase LipT 0.0168 0.0948 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0168 0.0948 0.1557
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.015 1
Schistosoma mansoni chromobox protein 0.0071 0.0343 0.0564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0029 0.0047
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0029 0.0047
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0029 0.0047
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0029 0.0047
Echinococcus granulosus FTZ F1 alpha 0.002 0.0029 0.0047
Mycobacterium tuberculosis Probable thioesterase TesA 0.0062 0.0288 0.2921
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0029 0.0047
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0042 0.0166 0.1608
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0172 0.0283
Brugia malayi TAR-binding protein 0.0062 0.0292 0.0479
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0659 0.1083
Echinococcus multilocularis acetylcholinesterase 0.0993 0.6087 0.6087
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0074 0.0365 0.3748
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0021 0.0139
Onchocerca volvulus 0.0168 0.0948 1
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0019 0.0019 0.0031
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.0819 0.1345
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0021 0.0035
Mycobacterium ulcerans thioesterase 0.0062 0.0288 0.2897
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.015 0.1317
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0292 0.0479
Loa Loa (eye worm) hypothetical protein 0.0993 0.6087 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0072 0.0351 0.3596
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0292 0.0479
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.0793 0.1303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0029 0.0047
Brugia malayi chromobox protein homolog 3 0.004 0.015 0.0246
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.0659 0.0659
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0343 0.3474
Echinococcus multilocularis muscleblind protein 0.0445 0.2676 0.2676
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0029 0.0047
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0069 0.0335 0.055
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0061 0.0281 0.2844
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0079 0.0394 0.6337
Loa Loa (eye worm) hypothetical protein 0.0042 0.0162 0.0266
Onchocerca volvulus 0.0168 0.0948 1
Loa Loa (eye worm) fatty acid synthase 0.0073 0.0359 0.059
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0168 0.0948 1
Onchocerca volvulus 0.0129 0.0707 0.7385
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0074 0.0365 0.3727
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0053 0.0235 0.2351
Echinococcus granulosus neuroligin 0.0168 0.0948 0.1557
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0029 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0029 0.0047
Mycobacterium tuberculosis Conserved protein 0.0022 0.0042 0.0282
Giardia lamblia Methyltransferase like 2 0.0022 0.0042 0.0441
Mycobacterium ulcerans polyketide synthase Pks13 0.0111 0.0594 0.6188
Mycobacterium ulcerans polyketide synthase 0.0079 0.0394 0.4036
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0072 0.0351 0.3596
Mycobacterium leprae Probable polyketide synthase Pks1 0.0079 0.0394 0.6337
Mycobacterium ulcerans fatty acid synthase Fas 0.0023 0.0048 0.0314
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0023 0.0045 0.0313
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.05 0.0821
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0168 0.0948 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0029 0.0029
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.006 0.0275 0.4155
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0168 0.1589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0158
Mycobacterium ulcerans polyketide synthase Pks9 0.0049 0.0209 0.2041
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0079 0.0394 0.4056
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0049 0.0209 0.2941
Echinococcus granulosus acetylcholinesterase 0.0993 0.6087 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0168 0.0948 0.1557
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0635 0.1043
Brugia malayi steroid hormone receptor 0.002 0.0029 0.0047
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0021 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0029 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0029 0.0047
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0029 0.0047
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0168 0.1589
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0021 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0292 0.0479
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0029 0.0029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0029 0.0047
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0037 0.0137 0.1837
Brugia malayi RNA binding protein 0.0062 0.0292 0.0479
Brugia malayi hypothetical protein 0.0168 0.0948 0.1557
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.05 0.0821
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0029 0.0047
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.0035
Schistosoma mansoni thyroid hormone receptor 0.002 0.0029 0.0047
Mycobacterium ulcerans thioesterase TesA 0.0062 0.0288 0.2897
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0292 0.0479
Schistosoma mansoni gliotactin 0.0168 0.0948 0.1557
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0079 0.0394 0.4036
Toxoplasma gondii type I fatty acid synthase, putative 0.0079 0.0394 0.5857
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0292 0.0292
Mycobacterium ulcerans Type I modular polyketide synthase 0.0074 0.0365 0.3727
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0168 0.1521
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0079 0.0394 0.4036
Echinococcus multilocularis muscleblind protein 1 0.0445 0.2676 0.2676
Onchocerca volvulus Fatty acid synthase homolog 0.0134 0.0736 0.7697
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0172 0.163
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0078 0.061
Brugia malayi Methyltransferase-like protein 4 0.0022 0.0042 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0029 0.0047
Mycobacterium ulcerans polyketide synthase MbtD 0.0023 0.0045 0.0281
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0993 0.6087 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0019 0.0019 0.0031
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0113 0.0185
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0023 0.0048 0.0346
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.003 0.009 0.0794
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0292 0.0479
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Echinococcus granulosus carboxylesterase 5A 0.0993 0.6087 1
Schistosoma mansoni hypothetical protein 0.0034 0.0113 0.0185
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.021 0.0344
Echinococcus multilocularis neuroligin 0.0168 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Giardia lamblia Kinase, PLK 0.0096 0.05 1
Loa Loa (eye worm) hypothetical protein 0.0993 0.6087 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.05 0.7509
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0343 0.3474
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0078 0.061
Brugia malayi Heterochromatin protein 1 0.0071 0.0343 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0042 0.0228
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0068 0.0112
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.021 0.0344
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.05 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0074 0.0365 0.3727
Echinococcus multilocularis carboxylesterase 5A 0.0993 0.6087 0.6087
Trichomonas vaginalis conserved hypothetical protein 0.004 0.015 0.1387
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.05 0.5124
Mycobacterium ulcerans polyketide synthase 0.0074 0.0365 0.3727
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0074 0.0365 0.06
Echinococcus granulosus geminin 0.0167 0.0942 0.1547
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0111 0.0594 0.62
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0445 0.2676 0.4397
Echinococcus multilocularis acetylcholinesterase 0.0993 0.6087 0.6087
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0021 0.0033
Loa Loa (eye worm) carboxylesterase 0.0168 0.0948 0.1557
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.0819 0.1345
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0292 0.0479
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.0659 0.6901
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Trichomonas vaginalis spcc417.12 protein, putative 0.0168 0.0948 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Echinococcus multilocularis chromobox protein 1 0.0071 0.0343 0.0343
Mycobacterium tuberculosis Hypothetical protein 0.0022 0.0042 0.0282
Schistosoma mansoni hypothetical protein 0.0167 0.0942 0.1547
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.05 0.0821
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.021 0.0344
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0029 0.0047
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0172 0.163
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0029 0.0047
Trypanosoma brucei polo-like protein kinase 0.0096 0.05 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0029 0.0047
Schistosoma mansoni methyltransferase-related 0.0022 0.0042 0.0069
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0019 0.0019 0.0031
Brugia malayi AMP-binding enzyme family protein 0.0069 0.0335 0.055
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0168 0.0948 0.1557
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0079 0.0394 0.4056
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0029 0.0047
Brugia malayi Muscleblind-like protein 0.0445 0.2676 0.4397
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0062 0.0288 0.4398
Loa Loa (eye worm) carboxylesterase 0.0993 0.6087 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0172 0.2394
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0659 0.1083
Brugia malayi Carboxylesterase family protein 0.0168 0.0948 0.1557
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0049 0.0209 0.2041
Echinococcus multilocularis BC026374 protein (S09 family) 0.0168 0.0948 0.0948
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.0659 0.1083
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0172 0.2394
Loa Loa (eye worm) hypothetical protein 0.0125 0.0679 0.1116
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0021 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0029 0.0029
Mycobacterium ulcerans carboxylesterase, LipT 0.0168 0.0948 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0029 0.0047
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.006 0.0275 0.2755
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.05 0.0821
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0029 0.0029
Schistosoma mansoni coup transcription factor 0.002 0.0029 0.0047
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0168 0.0948 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0021 0.0044
Brugia malayi nuclear hormone receptor 0.002 0.0029 0.0047
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0021 0.0056
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Loa Loa (eye worm) hypothetical protein 0.0049 0.021 0.0344
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0029 0.0047
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0659 0.6891
Schistosoma mansoni kinase 0.0049 0.0206 0.0339
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0029 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0029 0.0047
Echinococcus granulosus para nitrobenzyl esterase 0.0168 0.0948 0.1557
Echinococcus granulosus muscleblind protein 0.0445 0.2676 0.4397
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0029 0.0047
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0111 0.0594 0.62
Loa Loa (eye worm) acetylcholinesterase 1 0.0993 0.6087 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0026 0.0062 0.0493
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0168 0.0948 0.0948
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Echinococcus multilocularis chromobox protein 1 0.0071 0.0343 0.0343
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0029 0.0029
Brugia malayi Cytochrome P450 family protein 0.0027 0.0068 0.0112
Brugia malayi Carboxylesterase family protein 0.0993 0.6087 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0292 0.0479
Brugia malayi ecdysteroid receptor 0.002 0.0029 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0029 0.0047
Onchocerca volvulus 0.0168 0.0948 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0029 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.05 0.5164
Schistosoma mansoni chromobox protein 0.0071 0.0343 0.0564
Onchocerca volvulus 0.0031 0.0096 0.0737
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0074 0.0365 0.581
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0019 0.0019 0.5
Schistosoma mansoni acetylcholinesterase 0.0168 0.0948 0.1557
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0029 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0029 0.0047
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0029 0.0047
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0079 0.0394 0.4056
Leishmania major hypothetical protein, conserved 0.0022 0.0042 0.0363
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0074 0.0365 0.581
Onchocerca volvulus 0.0168 0.0948 1
Brugia malayi Carboxylesterase family protein 0.0993 0.6087 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.006 0.0275 0.2755
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.0659 1
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0343 0.0564
Echinococcus multilocularis geminin 0.0167 0.0942 0.0942
Brugia malayi Carboxylesterase family protein 0.0168 0.0948 0.1557
Toxoplasma gondii exonuclease III APE 0.0019 0.0021 0.0033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0021 0.0044
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0029 0.0047
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0029 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0198 0.1912
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.015 0.2689
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0029 0.0047
Echinococcus granulosus chromobox protein 1 0.0071 0.0343 0.0564
Loa Loa (eye worm) hypothetical protein 0.0445 0.2676 0.4397
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0198 0.1912
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.0659 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0659 0.6891
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0659 0.6891
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Loa Loa (eye worm) acetyltransferase 0.0147 0.0819 0.1345
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0141 0.0779 0.128
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.05 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0168 0.0948 0.0948
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0019 0.0019 0.0031
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0029 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0029 0.0047
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0029 0.0029
Onchocerca volvulus 0.0168 0.0948 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.0232 0.3328
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0045 0.0074
Brugia malayi Carboxylesterase family protein 0.0168 0.0948 0.1557
Schistosoma mansoni thyroid hormone receptor 0.002 0.0029 0.0047
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0172 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0292 0.0479
Schistosoma mansoni neuroligin 3 (S09 family) 0.0168 0.0948 0.1557
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0021 0.0021
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.05 0.05
Loa Loa (eye worm) acyl carrier protein 0.0034 0.0116 0.019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0029 0.0047
Onchocerca volvulus 0.0069 0.0335 0.3331
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0635 0.1043
Trichomonas vaginalis conserved hypothetical protein 0.004 0.015 0.1387
Schistosoma mansoni hypothetical protein 0.0167 0.0942 0.1547
Brugia malayi nuclear receptor NHR-88 0.002 0.0029 0.0047
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0048 0.0203 0.2872
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0029 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0292 0.0479
Loa Loa (eye worm) hypothetical protein 0.0168 0.0948 0.1557
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.05 1
Echinococcus granulosus acetylcholinesterase 0.0993 0.6087 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0047
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0021 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0029 0.0047
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0079 0.0394 0.6337
Brugia malayi Carboxylesterase family protein 0.0168 0.0948 0.1557
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0019 0.0019 0.0019
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0029 0.0047
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0021 0.0044
Echinococcus granulosus chromobox protein 1 0.0071 0.0343 0.0564
Loa Loa (eye worm) hypothetical protein 0.004 0.015 0.0246
Schistosoma mansoni nuclear hormone receptor 0.002 0.0029 0.0047
Mycobacterium leprae Polyketide synthase Pks13 0.0111 0.0594 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0292 0.0479
Schistosoma mansoni BC026374 protein (S09 family) 0.0168 0.0948 0.1557
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0029 0.0047
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0029 0.0047
Echinococcus granulosus BC026374 protein S09 family 0.0168 0.0948 0.1557
Loa Loa (eye worm) hypothetical protein 0.0034 0.0113 0.0185
Mycobacterium ulcerans Type I modular polyketide synthase 0.0074 0.0365 0.3727
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.015 0.2689
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0021 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0069 0.0335 0.3422
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0029 0.0029
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0021 0.0163

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.26 uM Inhibition of spontaneous tone in guinea pig isolated trachealis ChEMBL. 2002472
Intrinsic activity (functional) = 0.77 Intrinsic activity was measured for inhibition of spontaneous tone in guinea pig isolated trachealis ChEMBL. 2002472

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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