Detailed information for compound 1642288

Basic information

Technical information
  • TDR Targets ID: 1642288
  • Name: N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amin o]propyl]pyridine-4-carboxamide
  • MW: 359.424 | Formula: C21H21N5O
  • H donors: 2 H acceptors: 4 LogP: 3.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc2c(C)cc(cc2nc1NCCCNC(=O)c1ccncc1)C
  • InChi: 1S/C21H21N5O/c1-14-10-15(2)18-12-17(13-22)20(26-19(18)11-14)24-6-3-7-25-21(27)16-4-8-23-9-5-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,24,26)(H,25,27)
  • InChiKey: JQQWJSIMDNDVJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]pyridine-4-carboxamide
  • N-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]-4-pyridinecarboxamide
  • N-[3-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]propyl]isonicotinamide
  • N-[3-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]propyl]pyridine-4-carboxamide
  • ASN 06540727
  • N-[3-(3-Cyano-5,7-dimethyl-quinolin-2-ylamino)-propyl]-isonicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum ATP-binding cassette, sub-family C (CFTR/MRP), member 2; Canalicular multispecific organic anion transporter; multidrug resist Get druggable targets OG5_140335 All targets in OG5_140335
Plasmodium vivax multidrug resistance-associated protein 1, putative Get druggable targets OG5_140335 All targets in OG5_140335
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
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0012 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Onchocerca volvulus 0.0047 0.0898 0.3267
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0012 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Plasmodium falciparum phosphodiesterase gamma, putative 0.0012 0.005 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1211 0.1211
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.4266 0.4266
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Brugia malayi Carboxylesterase family protein 0.0193 0.4495 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0012 0.005 0.0075
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0012 0.005 0.005
Echinococcus granulosus BC026374 protein S09 family 0.0033 0.0554 0.0554
Loa Loa (eye worm) carboxylesterase 0.0033 0.0554 0.1233
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.4266 0.4266
Schistosoma mansoni BC026374 protein (S09 family) 0.0033 0.0554 0.0825
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.005 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0012 0.005 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0033 0.0554 0.0554
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0012 0.005 0.005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0554 0.0825
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.1057 0.1057
Onchocerca volvulus 0.0033 0.0554 0.2015
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0112
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1211 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.005 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0012 0.005 0.005
Echinococcus multilocularis acetylcholinesterase 0.0193 0.4495 0.4495
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0898 0.0898
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0012 0.005 0.005
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0012 0.005 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0193 0.4495 0.6694
Brugia malayi Carboxylesterase family protein 0.0033 0.0554 0.1233
Loa Loa (eye worm) hypothetical protein 0.0047 0.0898 0.1998
Giardia lamblia hypothetical protein 0.0012 0.005 0.5
Onchocerca volvulus 0.0033 0.0554 0.2015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0554 0.0825
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.1057 0.1573
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0554 0.0825
Echinococcus granulosus carboxylesterase 5A 0.0193 0.4495 0.4495
Loa Loa (eye worm) hypothetical protein 0.0193 0.4495 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0012 0.005 0.5
Brugia malayi hypothetical protein 0.0122 0.2749 0.6116
Giardia lamblia Hypothetical protein 0.0012 0.005 0.5
Onchocerca volvulus 0.0033 0.0554 0.2015
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0012 0.005 0.0112
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0416 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.005 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0012 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0283 0.6715 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0012 0.005 0.5
Onchocerca volvulus 0.0033 0.0554 0.2015
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0012 0.005 0.005
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0012 0.005 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0012 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0012 0.005 0.0112
Loa Loa (eye worm) hypothetical protein 0.0122 0.2749 0.6116
Echinococcus granulosus neuroligin 0.0033 0.0554 0.0554
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0357 0.8545 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.005 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0012 0.005 0.5
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0012 0.005 0.005
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0012 0.005 0.005
Onchocerca volvulus Huntingtin homolog 0.0122 0.2749 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0012 0.005 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0012 0.005 0.0112
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0012 0.005 0.0112
Echinococcus granulosus para nitrobenzyl esterase 0.0033 0.0554 0.0554
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1211 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1211 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0898 0.0898
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0112
Loa Loa (eye worm) acetylcholinesterase 1 0.0193 0.4495 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0012 0.005 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0033 0.0554 1
Onchocerca volvulus 0.0033 0.0554 0.2015
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0112
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.1057 0.1057
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0012 0.005 0.0112
Brugia malayi Carboxylesterase family protein 0.0193 0.4495 1
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0012 0.005 0.0075
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0012 0.005 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0898 0.1337
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0898 0.3267
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0112
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Loa Loa (eye worm) carboxylesterase 0.0193 0.4495 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0033 0.0554 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0033 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0193 0.4495 1
Onchocerca volvulus Huntingtin homolog 0.0122 0.2749 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0012 0.005 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0033 0.0554 0.0554
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1211 0.1211
Echinococcus multilocularis para nitrobenzyl esterase 0.0033 0.0554 0.0554
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.1057 0.2351
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0012 0.005 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0012 0.005 0.5
Brugia malayi mbt repeat family protein 0.0047 0.0898 0.1998
Echinococcus granulosus acetylcholinesterase 0.0193 0.4495 0.4495
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1211 1
Loa Loa (eye worm) PDE1B protein 0.0012 0.005 0.0112
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0012 0.005 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Loa Loa (eye worm) carboxylesterase 0.0033 0.0554 0.1233
Brugia malayi Carboxylesterase family protein 0.0033 0.0554 0.1233
Brugia malayi Carboxylesterase family protein 0.0033 0.0554 0.1233
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Loa Loa (eye worm) MBCTL1 0.0053 0.1057 0.2351
Schistosoma mansoni gliotactin 0.0033 0.0554 0.0825
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0898 0.0898
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0012 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0898 0.0898
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0012 0.005 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1211 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.005 0.5
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0012 0.005 0.5
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0012 0.005 0.005
Plasmodium falciparum phosphodiesterase delta, putative 0.0012 0.005 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0898 0.1337
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0012 0.005 0.005
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0012 0.005 0.0112
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0012 0.005 0.0112
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0012 0.005 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.1057 0.1057
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0898 0.1337
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0012 0.005 0.0075
Echinococcus multilocularis carboxylesterase 5A 0.0193 0.4495 0.4495
Brugia malayi Carboxylesterase family protein 0.0033 0.0554 0.1233
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0012 0.005 0.005
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0898 0.1998
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Echinococcus multilocularis acetylcholinesterase 0.0193 0.4495 0.4495
Brugia malayi hypothetical protein 0.0033 0.0554 0.1233
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.1057 0.1057
Loa Loa (eye worm) hypothetical protein 0.0033 0.0554 0.1233
Trypanosoma brucei hypothetical protein, conserved 0.0012 0.005 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1211 0.1803
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1211 1
Echinococcus multilocularis neuroligin 0.0033 0.0554 0.0554
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0012 0.005 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1211 0.1803
Brugia malayi mbt repeat family protein 0.0047 0.0898 0.1998
Schistosoma mansoni acetylcholinesterase 0.0033 0.0554 0.0825
Schistosoma mansoni neuroligin 3 (S09 family) 0.0033 0.0554 0.0825
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0012 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0122 0.2749 0.6116
Loa Loa (eye worm) hypothetical protein 0.0053 0.1057 0.2351
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0012 0.005 0.0075
Echinococcus granulosus acetylcholinesterase 0.0193 0.4495 0.4495
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.005 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 8.2 uM Activity at human CFTR delta F508 mutant expressed in forskolin-stimulated FRT cells assessed as increase in iodine influx measured as decrease in YFP fluorescence after 18 to 24 hrs at 37 degC in presence of genistein ChEMBL. 22214395
Vmax (binding) = 61 microM/s Activity at human CFTR delta F508 mutant expressed in forskolin-stimulated FRT cells assessed as increase in iodine influx measured as decrease in YFP fluorescence after 18 to 24 hrs at 37 degC in presence of genistein relative to control ChEMBL. 22214395

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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