Detailed information for compound 436338

Basic information

Technical information
  • TDR Targets ID: 436338
  • Name: 7-[(3-chloroanilino)-pyridin-4-ylmethyl]quino lin-8-ol
  • MW: 361.824 | Formula: C21H16ClN3O
  • H donors: 2 H acceptors: 3 LogP: 4.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(c1ccc2c(c1O)nccc2)c1ccncc1
  • InChi: 1S/C21H16ClN3O/c22-16-4-1-5-17(13-16)25-19(15-8-11-23-12-9-15)18-7-6-14-3-2-10-24-20(14)21(18)26/h1-13,19,25-26H
  • InChiKey: WLUWONYFMQBFTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[(3-chloroanilino)-(4-pyridyl)methyl]quinolin-8-ol
  • 7-[(3-chloroanilino)-(4-pyridyl)methyl]-8-quinolinol
  • 7-[[(3-chlorophenyl)amino]-pyridin-4-yl-methyl]quinolin-8-ol
  • 7-[[(3-chlorophenyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol
  • 7-[[(3-chlorophenyl)amino]-(4-pyridyl)methyl]quinolin-8-ol
  • 7-[[(3-chlorophenyl)amino]-(4-pyridyl)methyl]-8-quinolinol
  • T0509-4608
  • Oprea1_758932

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
Trypanosoma cruzi cytochrome P450, putative 0.0011 0.1491 1
Plasmodium falciparum amino acid transporter, putative 0.0009 0.1027 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0009 0.1027 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0007 0.0749 0.3473
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0007 0.0749 0.0735
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Echinococcus granulosus serotonin transporter 0.005 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0027 0.5029 0.5022
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0005 0.0354 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0009 0.1027 0.1013
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 1 1
Leishmania major cytochrome p450-like protein 0.0011 0.1491 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0005 0.0354 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0009 0.1027 0.1013
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0009 0.1027 1
Brugia malayi hypothetical protein 0.0009 0.1027 0.1013
Loa Loa (eye worm) hypothetical protein 0.0007 0.0749 0.0749
Onchocerca volvulus 0.0009 0.1027 0.1013
Brugia malayi Cytochrome P450 family protein 0.0005 0.0354 0.0339
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0009 0.1027 0.1013
Loa Loa (eye worm) hypothetical protein 0.0033 0.6296 0.6296
Loa Loa (eye worm) solute carrier family 6 member 4 0.005 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0009 0.1027 0.1013
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0009 0.1027 0.1013
Brugia malayi jmjC domain containing protein 0.0007 0.0749 0.0735
Loa Loa (eye worm) hypothetical protein 0.0007 0.0749 0.0749
Schistosoma mansoni hypothetical protein 0.0033 0.6296 0.6291
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0005 0.0354 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0007 0.0749 0.0749
Echinococcus granulosus sodium and chloride dependent glycine 0.0009 0.1027 0.1013
Schistosoma mansoni protein phosphatase 2C 0.0007 0.0749 0.0735
Echinococcus granulosus jumonji domain containing 1A 0.0007 0.0749 0.0735
Brugia malayi jmjC domain containing protein 0.0027 0.5029 0.5022
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Echinococcus multilocularis sodium and chloride dependent glycine 0.0009 0.1027 0.1013
Toxoplasma gondii hypothetical protein 0.0009 0.1027 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Brugia malayi jmjC domain containing protein 0.0007 0.0749 0.0735
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0005 0.0354 0.5
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0007 0.0749 0.5867
Schistosoma mansoni jumonji domain containing protein 0.0007 0.0749 0.0735
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0005 0.0354 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0007 0.0749 0.3473
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Echinococcus multilocularis serotonin transporter 0.005 1 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0007 0.0749 0.5867
Plasmodium vivax hypothetical protein, conserved 0.0009 0.1027 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0007 0.0749 0.0735
Brugia malayi Cytochrome P450 family protein 0.0011 0.1491 0.1478
Loa Loa (eye worm) CYP4Cod1 0.0011 0.1491 0.1491
Loa Loa (eye worm) serotonin transporter b 0.005 1 1
Echinococcus granulosus cytochrome P450 2K1 0.0005 0.0354 0.0339
Onchocerca volvulus 0.0009 0.1027 0.1013
Echinococcus granulosus small conductance calcium activated potassium 0.0033 0.6296 0.6291
Onchocerca volvulus 0.0009 0.1027 0.1013
Loa Loa (eye worm) cytochrome P450 family protein 0.0011 0.1491 0.1491
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0009 0.1027 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0007 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Brugia malayi Cytochrome P450 family protein 0.0011 0.1491 0.1478
Loa Loa (eye worm) hypothetical protein 0.005 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0005 0.0354 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0009 0.1027 0.1013
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0005 0.0354 0.5
Plasmodium falciparum transporter, putative 0.0009 0.1027 1
Brugia malayi jmjC domain containing protein 0.0007 0.0749 0.0735
Echinococcus granulosus lysine specific demethylase 6a 0.0007 0.0749 0.0735
Loa Loa (eye worm) cytochrome P450 family protein 0.0005 0.0354 0.0354
Loa Loa (eye worm) hypothetical protein 0.0011 0.1477 0.1477
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Schistosoma mansoni hypothetical protein 0.0005 0.0354 0.0339
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0005 0.0354 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.0015 0.0015
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0007 0.0749 0.0735
Echinococcus multilocularis phd:f box containing protein 0.0007 0.0749 0.0735
Treponema pallidum sodium- and chloride- dependent transporter 0.005 1 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0009 0.1027 0.1013
Loa Loa (eye worm) hypothetical protein 0.005 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0005 0.0354 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0009 0.1027 0.1013
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0005 0.0354 0.5
Loa Loa (eye worm) hypothetical protein 0.005 1 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0005 0.0354 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0005 0.0354 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Schistosoma mansoni sodium/chloride dependent transporter 0.005 1 1
Echinococcus multilocularis 0.0005 0.0354 0.0339
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Brugia malayi Cytochrome P450 family protein 0.0005 0.0354 0.0339
Schistosoma mansoni phd/f-box containing protein 0.0007 0.0749 0.0735
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0005 0.0354 0.5
Leishmania major hypothetical protein, conserved 0.0007 0.0749 0.3473
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0005 0.0354 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0027 0.5029 0.5022
Trypanosoma brucei cytochrome P450, putative 0.0011 0.1491 1
Echinococcus granulosus JmjC domain containing protein 4 0.0007 0.0749 0.0735
Schistosoma mansoni cytochrome P450 0.0005 0.0354 0.0339
Loa Loa (eye worm) jmjC domain-containing protein 0.0007 0.0749 0.0749
Echinococcus granulosus lysine specific demethylase 5A 0.0027 0.5029 0.5022
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0009 0.1027 0.1013
Echinococcus multilocularis lysine specific demethylase 5A 0.0027 0.5029 0.5022
Schistosoma mansoni hypothetical protein 0.0007 0.077 0.0757
Echinococcus granulosus phd:f box containing protein 0.0007 0.0749 0.0735
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0007 0.0749 0.3473
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.5029 0.5029
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0005 0.0354 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0009 0.1027 0.1027
Trypanosoma cruzi cytochrome P450, putative 0.0011 0.1491 1
Schistosoma mansoni calcium-activated potassium channel 0.0021 0.3776 0.3767
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0005 0.0354 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0009 0.1027 0.1013
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0004 0.0015 0.0015
Loa Loa (eye worm) norepinephrine transporter 0.005 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0009 0.1027 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0033 0.6296 0.6291
Loa Loa (eye worm) intermediate filament protein 0.0004 0.0015 0.0015
Schistosoma mansoni phosphatidylserine receptor 0.0007 0.0749 0.0735
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0009 0.1027 0.1013
Loa Loa (eye worm) hypothetical protein 0.0009 0.1027 0.1027
Schistosoma mansoni jumonji/arid domain-containing protein 0.0027 0.5029 0.5022
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0005 0.0354 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0005 0.0354 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0009 0.1027 0.1013
Echinococcus multilocularis jumonji domain containing 1A 0.0007 0.0749 0.0735
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0005 0.0354 0.5
Schistosoma mansoni jumonji domain containing protein 0.0027 0.5029 0.5022
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Toxoplasma gondii hypothetical protein 0.0009 0.1027 1
Mycobacterium leprae putative cytochrome p450 0.0005 0.0354 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.136 0.136
Brugia malayi jmjC domain containing protein 0.0027 0.5029 0.5022
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Plasmodium vivax amine transporter, putative 0.0009 0.1027 1
Brugia malayi jmjC domain containing protein 0.0007 0.0749 0.0735
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0005 0.0354 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0009 0.1027 0.1013
Schistosoma mansoni calcium-activated potassium channel 0.0033 0.6296 0.6291
Onchocerca volvulus 0.005 1 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0009 0.1027 0.1013
Schistosoma mansoni sodium-dependent amino acid transporter 0.0009 0.1027 0.1013
Schistosoma mansoni sodium/chloride dependent transporter 0.0009 0.1027 0.1013
Echinococcus multilocularis lysine specific demethylase 6a 0.0007 0.0749 0.0735
Loa Loa (eye worm) cytochrome P450 0.0005 0.0354 0.0354
Loa Loa (eye worm) cytochrome P450 family protein 0.0011 0.1491 0.1491
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0027 0.5029 0.5022
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0007 0.0749 0.0735
Brugia malayi cytochrome P450 0.0005 0.0354 0.0339
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0011 0.1491 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0005 0.0354 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0009 0.1027 0.1013
Loa Loa (eye worm) hypothetical protein 0.0005 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0011 0.1608 0.1608
Loa Loa (eye worm) hypothetical protein 0.0007 0.0749 0.0749
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0009 0.1027 0.1027

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4 uM Antiproliferative activity against MCF7 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) = 4 uM Antiproliferative activity against MCF7 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) = 23 uM Antiproliferative activity against SkBr3 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) = 23 uM Antiproliferative activity against SkBr3 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) = 33 uM Induction of Hsp90-dependent Her2 protein degradation in Skbr3 cells after 24 hrs by ELISA ChEMBL. 17223347
IC50 (functional) = 33 uM Induction of Hsp90-dependent Her2 protein degradation in Skbr3 cells after 24 hrs by ELISA ChEMBL. 17223347
IC50 (binding) = 36 uM Inhibition of Hsp90-dependent luciferase renaturation in rabbit reticulocyte after 30 mins by luciferase refolding assay ChEMBL. 17223347

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17223347

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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