Detailed information for compound 338600

Basic information

Technical information
  • TDR Targets ID: 338600
  • Name: 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpho line-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1 -yl]methyl]quinolin-2-one
  • MW: 542.028 | Formula: C30H28ClN5O3
  • H donors: 0 H acceptors: 3 LogP: 2.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cccc(c1)c1cc(=O)n(c2c1cc(cc2)Cn1cncc1Cn1ccc(c1)C(=O)N1CCOCC1)C
  • InChi: 1S/C30H28ClN5O3/c1-33-28-6-5-21(13-27(28)26(15-29(33)37)22-3-2-4-24(31)14-22)17-36-20-32-16-25(36)19-34-8-7-23(18-34)30(38)35-9-11-39-12-10-35/h2-8,13-16,18,20H,9-12,17,19H2,1H3
  • InChiKey: JCBXKMGAKYCOTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-[morpholino(oxo)methyl]-1-pyrrolyl]methyl]-1-imidazolyl]methyl]-2-quinolinone
  • 4-(3-chlorophenyl)-1-methyl-6-[[5-[(3-morpholin-4-ylcarbonylpyrrol-1-yl)methyl]imidazol-1-yl]methyl]quinolin-2-one
  • 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholine-4-carbonyl)pyrrol-1-yl]methyl]imidazol-1-yl]methyl]carbostyril
  • 4-(3-chlorophenyl)-1-methyl-6-[[5-[[3-(morpholino-oxomethyl)-1-pyrrolyl]methyl]-1-imidazolyl]methyl]-2-quinolinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Protein farnesyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania major farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania donovani farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania braziliensis farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
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
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0115 0.1279 0.2373
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0069 0.0272 0.0203
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0177 0.2641 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0082 0.0562 0.0786
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0272 0.1031
Schistosoma mansoni furin-1 (S08 family) 0.0127 0.154 0.2753
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0272 0.1031
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.0525 0.036
Trypanosoma brucei lanosterol synthase 0.0133 0.1682 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0272 0.1031
Trypanosoma cruzi lanosterol synthase, putative 0.0133 0.1682 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0082 0.0562 0.2128
Loa Loa (eye worm) hypothetical protein 0.008 0.0525 0.0885
Loa Loa (eye worm) hypothetical protein 0.008 0.0525 0.0885
Loa Loa (eye worm) hypothetical protein 0.008 0.0525 0.0885
Brugia malayi beta-lactamase family protein 0.008 0.0525 0.0712
Echinococcus multilocularis Furin 1 0.0069 0.0272 0.0271
Echinococcus multilocularis G protein coupled receptor 139 0.0115 0.1289 0.299
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0082 0.0562 0.0958
Loa Loa (eye worm) proprotein convertase 2 0.0069 0.0272 0.0386
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.0525 0.036
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0082 0.0562 0.1045
Brugia malayi celfurPC protein 0.0235 0.3909 0.7519
Loa Loa (eye worm) hypothetical protein 0.008 0.0525 0.0885
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0272 0.1031
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.0525 0.036
Leishmania major lanosterol synthase, putative 0.01 0.0961 1
Echinococcus granulosus furin 0.0291 0.5142 1
Schistosoma mansoni neuropeptide receptor 0.0115 0.1289 0.2248
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0263 0.453 0.8792
Loa Loa (eye worm) endoprotease bli-4 0.0291 0.5142 1
Brugia malayi beta-lactamase 0.008 0.0525 0.0712
Trypanosoma cruzi protein farnesyltransferase, putative 0.0082 0.0562 0.032
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0082 0.0562 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.1267 0.2351
Brugia malayi proprotein convertase 2 0.0183 0.2773 0.5234
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0082 0.0562 0.0786
Echinococcus multilocularis neuroendocrine convertase 2 0.0183 0.2773 0.6961
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0525 0.0712
Brugia malayi endoprotease bli-4 precursor 0.0291 0.5142 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0525 0.0885
Mycobacterium leprae Probable lipase LipE 0.008 0.0525 0.5
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0082 0.0562 0.0786
Mycobacterium tuberculosis Conserved protein 0.008 0.0525 0.036
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0082 0.0562 0.032
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0177 0.2641 0.4969
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.0525 0.036
Onchocerca volvulus 0.008 0.0525 0.5
Echinococcus multilocularis neuropeptide receptor 0.0115 0.1289 0.299
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0082 0.0562 0.2128
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0272 0.1031
Leishmania major hypothetical protein, conserved 0.008 0.0525 0.4478
Mycobacterium tuberculosis Conserved protein 0.008 0.0525 0.036
Brugia malayi follicle stimulating hormone receptor 0.0263 0.453 0.8769
Trichomonas vaginalis esterase, putative 0.008 0.0525 0.1988
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0115 0.1279 0.4842
Mycobacterium tuberculosis Probable hydrolase 0.008 0.0525 0.036
Echinococcus granulosus Furin 1 0.0069 0.0272 0.0203
Mycobacterium ulcerans hypothetical protein 0.008 0.0525 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0082 0.0562 0.2128
Loa Loa (eye worm) hypothetical protein 0.008 0.0525 0.0885
Echinococcus granulosus neuroendocrine convertase 2 0.0183 0.2773 0.5234
Echinococcus granulosus neuropeptide receptor 0.0115 0.1289 0.2248
Mycobacterium leprae conserved hypothetical protein 0.008 0.0525 0.5
Mycobacterium tuberculosis Conserved protein 0.008 0.0525 0.036
Leishmania major farnesyltransferase beta subunit 0.0082 0.0562 0.4946
Loa Loa (eye worm) beta-lactamase 0.008 0.0525 0.0885
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0177 0.2641 0.6609
Echinococcus multilocularis 0.0235 0.3909 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0525 0.0712
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0082 0.0562 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0525 0.1988
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0115 0.1279 1
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.0525 0.0712
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0082 0.0562 0.2128
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0115 0.1279 0.2963
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.0525 0.036
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0082 0.0562 1
Mycobacterium ulcerans beta-lactamase 0.008 0.0525 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0272 0.1031
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0133 0.1682 0.1537
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0082 0.0562 0.2128
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0525 0.1988
Mycobacterium ulcerans lipase LipD 0.008 0.0525 1
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0525 0.1988
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0177 0.2641 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0291 0.5142 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.0525 0.0712
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.0525 0.036
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0525 0.1988
Brugia malayi beta-lactamase family protein 0.008 0.0525 0.0712
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0115 0.1279 0.2228
Loa Loa (eye worm) hypothetical protein 0.0291 0.5142 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0115 0.1279 0.2228
Onchocerca volvulus 0.008 0.0525 0.5
Trypanosoma cruzi lanosterol synthase, putative 0.0133 0.1682 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0183 0.2773 0.5234
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0525 0.1988
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.0525 1
Onchocerca volvulus 0.008 0.0525 0.5
Giardia lamblia High cysteine membrane protein Group 2 0.0108 0.1136 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.0525 0.0885
Trypanosoma cruzi protein farnesyltransferase, putative 0.0082 0.0562 0.032
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0115 0.1279 0.2228
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0115 0.1279 0.2228
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0082 0.0562 0.2128
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.0525 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.0525 0.0946

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0 nM Inhibition of H-ras farnesylation in transformed NIH3T3 cells; NT=not tested ChEMBL. 15808463
IC50 (binding) NT 0 nM Inhibition of bovine geranylgeranyl transferase ChEMBL. 15808463
IC50 (binding) > 1000 nM Inhibition of bovine farnesyltransferase ChEMBL. 15808463
IC50 (binding) = 1000 nM Inhibition of FTase (unknown origin) ChEMBL. 17236767
IC50 (binding) > 1000 nM Inhibition of bovine farnesyltransferase ChEMBL. 15808463

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

2 literature references were collected for this gene.

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