Detailed information for compound 776729

Basic information

Technical information
  • TDR Targets ID: 776729
  • Name: 7-[(4-fluorophenyl)-[(6-methylpyridin-2-yl)am ino]methyl]quinolin-8-ol
  • MW: 359.396 | Formula: C22H18FN3O
  • H donors: 2 H acceptors: 3 LogP: 4.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(c1ccc2c(c1O)nccc2)Nc1cccc(n1)C
  • InChi: 1S/C22H18FN3O/c1-14-4-2-6-19(25-14)26-20(16-7-10-17(23)11-8-16)18-12-9-15-5-3-13-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)
  • InChiKey: QFWYBZBGLVKJGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[(4-fluorophenyl)-[(6-methyl-2-pyridyl)amino]methyl]quinolin-8-ol
  • 7-[(4-fluorophenyl)-[(6-methyl-2-pyridyl)amino]methyl]-8-quinolinol
  • EU-0013129
  • AK-968/12971372
  • Oprea1_070644

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 hypothetical protein 0.0025 0.0142 0.0269
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0142 0.2898
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0419 0.5608
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1413 0.2675
Brugia malayi Latrophilin receptor protein 2 0.0109 0.1212 0.2294
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0142 0.1625
Mycobacterium ulcerans lipase LipD 0.0071 0.0725 0.2198
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0419 0.0627
Treponema pallidum NADH oxidase 0.0016 0.0029 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1413 0.2675
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0142 0.1625
Echinococcus multilocularis GPCR, family 2 0.0109 0.1212 0.1186
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1184 0.2077
Onchocerca volvulus 0.0071 0.0725 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0345 0.4213 0.7976
Trichomonas vaginalis esterase, putative 0.0071 0.0725 0.1324
Trichomonas vaginalis CAMK family protein kinase 0.0287 0.3476 0.6562
Schistosoma mansoni hypothetical protein 0.0236 0.2824 0.449
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0725 0.1324
Brugia malayi beta-lactamase family protein 0.0071 0.0725 0.1372
Mycobacterium tuberculosis Conserved protein 0.0071 0.0725 0.1251
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0224 0.2675 0.4251
Echinococcus multilocularis lamin dm0 0.0026 0.0154 0.0125
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0725 0.1324
Echinococcus multilocularis calcium activated potassium channel 0.0143 0.1642 0.1618
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0725 0.1372
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0345 0.4213 0.7976
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0142 0.2898
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0725 0.2198
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.1184 0.7514
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.1184 0.2077
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1413 0.2223
Echinococcus multilocularis lamin 0.0026 0.0154 0.0125
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0224 0.2675 0.2654
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0419 0.0793
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0109 0.1212 0.1186
Brugia malayi hypothetical protein 0.0035 0.0271 0.0514
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0725 1
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.1642 0.2592
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0419 0.5608
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0725 0.2198
Brugia malayi Calcitonin receptor-like protein seb-1 0.0345 0.4213 0.7976
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0725 0.1251
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0725 0.1372
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0725 1
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.5
Mycobacterium ulcerans hypothetical protein 0.0071 0.0725 0.2198
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0142 0.1625
Loa Loa (eye worm) hypothetical protein 0.0071 0.0725 0.1372
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0109 0.1212 0.19
Onchocerca volvulus 0.0071 0.0725 1
Schistosoma mansoni lamin 0.0026 0.0154 0.02
Plasmodium vivax glutathione reductase, putative 0.0047 0.0419 0.5608
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0419 0.0391
Loa Loa (eye worm) latrophilin receptor protein 2 0.0109 0.1212 0.2294
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0029 0.5
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0143 0.1642 0.2592
Schistosoma mansoni hypothetical protein 0.0109 0.1212 0.19
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1413 0.2223
Loa Loa (eye worm) hypothetical protein 0.0142 0.1629 0.3083
Loa Loa (eye worm) glutathione reductase 0.0047 0.0419 0.0793
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0224 0.2675 0.4251
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0109 0.1212 0.2294
Brugia malayi glutathione reductase 0.0047 0.0419 0.0793
Loa Loa (eye worm) beta-lactamase 0.0071 0.0725 0.1372
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1413 0.2223
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0142 0.1625
Leishmania major trypanothione reductase 0.0047 0.0419 0.5608
Trichomonas vaginalis CAMK family protein kinase 0.0287 0.3476 0.6562
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0725 0.1324
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0725 0.1251
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0429 0.5283 1
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0725 0.1251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0224 0.2675 0.4251
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0154 0.0291
Mycobacterium ulcerans beta-lactamase 0.0071 0.0725 0.2198
Echinococcus multilocularis hypothetical protein 0.0142 0.1629 0.1604
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.0287 0.3476 0.5538
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0725 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0154 0.0291
Schistosoma mansoni hypothetical protein 0.0109 0.1212 0.19
Toxoplasma gondii thioredoxin reductase 0.0047 0.0419 0.5608
Echinococcus granulosus tar DNA binding protein 0.0125 0.1413 0.2223
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0109 0.1212 0.1186
Trypanosoma brucei trypanothione reductase 0.0047 0.0419 0.5608
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0725 0.1372
Loa Loa (eye worm) hypothetical protein 0.0109 0.1212 0.2294
Plasmodium falciparum thioredoxin reductase 0.0047 0.0419 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.0725 0.1251
Echinococcus multilocularis musashi 0.0026 0.0154 0.0125
Echinococcus granulosus lamin 0.0026 0.0154 0.02
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.1642 0.2592
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0725 0.1117
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0725 0.1324
Schistosoma mansoni hypothetical protein 0.0109 0.1212 0.19
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0029 0.0055
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.1642 0.2592
Leishmania major hypothetical protein, conserved 0.0025 0.0142 0.1625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0224 0.2675 0.4251
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0725 0.1251
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1184 0.2077
Loa Loa (eye worm) hypothetical protein 0.0071 0.0725 0.1372
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0224 0.2675 0.4251
Loa Loa (eye worm) hypothetical protein 0.0071 0.0725 0.1372
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0725 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0725 0.1251
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0109 0.1212 0.19
Echinococcus granulosus GPCR family 2 0.0109 0.1212 0.19
Brugia malayi beta-lactamase 0.0071 0.0725 0.1372
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0271 0.0389
Brugia malayi TAR-binding protein 0.0125 0.1413 0.2675
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1413 0.1388
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1413 0.2223
Brugia malayi beta-lactamase family protein 0.0071 0.0725 0.1372
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1336 0.2351
Schistosoma mansoni hypothetical protein 0.0035 0.0271 0.0389
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0142 0.1625
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0419 0.0702
Mycobacterium tuberculosis Conserved protein 0.0071 0.0725 0.1251
Toxoplasma gondii ABC1 family protein 0.0071 0.0725 1
Brugia malayi Protein kinase domain containing protein 0.0429 0.5283 1
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0143 0.1642 0.2592
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.1336 0.2351
Plasmodium falciparum glutathione reductase 0.0047 0.0419 1
Echinococcus granulosus calcium activated potassium channel 0.0143 0.1642 0.2592
Brugia malayi glutaminase DH11.1 0.0265 0.3193 0.6044
Mycobacterium ulcerans glutaminase 0.0265 0.3193 1
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1413 0.2675
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.5
Echinococcus multilocularis geminin 0.0505 0.6254 0.6243
Schistosoma mansoni glutaminase 0.0265 0.3193 0.5083
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1336 0.2351
Schistosoma mansoni hypothetical protein 0.0142 0.1629 0.257
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.1642 0.2592
Loa Loa (eye worm) hypothetical protein 0.0026 0.0154 0.0291
Loa Loa (eye worm) glutaminase 2 0.0265 0.3193 0.6044
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1336 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0154 0.02
Trichomonas vaginalis glutaminase, putative 0.0265 0.3193 0.6022
Brugia malayi Thioredoxin reductase 0.0047 0.0419 0.0793
Loa Loa (eye worm) hypothetical protein 0.0345 0.4213 0.7976
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0224 0.2675 0.5064
Schistosoma mansoni hypothetical protein 0.0109 0.1212 0.19
Schistosoma mansoni hypothetical protein 0.0142 0.1629 0.257
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0725 0.1251
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0725 0.0697
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0271 0.0243
Loa Loa (eye worm) glutaminase 0.0265 0.3193 0.6044
Loa Loa (eye worm) hypothetical protein 0.0026 0.0148 0.028
Leishmania major hypothetical protein, conserved 0.0071 0.0725 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0725 0.1372
Loa Loa (eye worm) hypothetical protein 0.0025 0.0142 0.0269
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0725 0.1324
Brugia malayi Kinase associated domain 1 family protein 0.0142 0.1629 0.3083
Schistosoma mansoni lamin 0.0026 0.0154 0.02
Echinococcus granulosus lamin dm0 0.0026 0.0154 0.02
Loa Loa (eye worm) hypothetical protein 0.0236 0.2824 0.5346
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0029 0.5
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.0287 0.3476 0.3457
Schistosoma mansoni intermediate filament proteins 0.0026 0.0154 0.02
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0725 0.1117
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0725 0.1251
Trichomonas vaginalis CAMK family protein kinase 0.0429 0.5283 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0725 0.1372
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0725 0.1117
Schistosoma mansoni serine/threonine kinase 0.0429 0.5283 0.844
Echinococcus granulosus geminin 0.0505 0.6254 1
Brugia malayi RNA binding protein 0.0125 0.1413 0.2675
Schistosoma mansoni hypothetical protein 0.0505 0.6254 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0154 0.0291
Schistosoma mansoni hypothetical protein 0.0505 0.6254 1
Brugia malayi latrophilin 2 splice variant baaae 0.0236 0.2824 0.5346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0224 0.2675 0.2654
Mycobacterium tuberculosis Probable reductase 0.0107 0.1184 0.2077
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0143 0.1642 0.1618
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0271 0.0389
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1413 0.2223
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0224 0.2675 0.5064
Brugia malayi intermediate filament protein 0.0026 0.0154 0.0291
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1184 0.2077
Brugia malayi hypothetical protein 0.0016 0.0029 0.0055
Onchocerca volvulus 0.0071 0.0725 1
Loa Loa (eye worm) RNA binding protein 0.0125 0.1413 0.2675
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.1642 0.2592
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0453 0.5586 1
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0143 0.1642 0.1618
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1184 0.2077

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 1.5069 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 1.51 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 4.167 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 4.17 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 110.5 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 115.4 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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

No literature references available for this target.

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