Detailed information for compound 353967

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.031 | Formula: C24H29ClN4O2S
  • H donors: 1 H acceptors: 3 LogP: 2.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)C=C(N1CCNCC1)c1c([C@@H]2C2CCN(CC2)S(=O)(=O)C)nccc1
  • InChi: 1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)15-18(20)16-22(28-13-9-26-10-14-28)21-3-2-8-27-24(21)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m1/s1
  • InChiKey: ZIGSEKZLCYCKCR-HSZRJFAPSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
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
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0756 0.2403 0.2678
Entamoeba histolytica ATP-binding cassette protein, putative 0.0296 0.0456 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0296 0.0456 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0234 0.0193 0.3991
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0234 0.0193 0.3991
Echinococcus multilocularis multidrug resistance protein 1 0.0234 0.0193 0.3991
Entamoeba histolytica P-glycoprotein-2 0.0234 0.0193 0.3991
Loa Loa (eye worm) hypothetical protein 0.0296 0.0456 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0296 0.0456 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0234 0.0193 0.3991
Trypanosoma cruzi multidrug resistance protein E, putative 0.0296 0.0456 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0296 0.0456 1
Brugia malayi multidrug resistance protein 3 0.0234 0.0193 0.3991
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0234 0.0193 0.3991
Schistosoma mansoni multidrug resistance protein 0.0296 0.0456 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.0019 0.042
Schistosoma mansoni multidrug resistance protein 0.0296 0.0456 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0296 0.0456 1
Schistosoma mansoni multidrug resistance protein 0.0296 0.0456 1
Schistosoma mansoni multidrug resistance protein 0.0234 0.0193 0.3991
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0234 0.0193 0.3991
Giardia lamblia MRP-like ABC transporter 0.0296 0.0456 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0861 0.2848 0.3502
Plasmodium vivax multidrug resistance protein 1, putative 0.0234 0.0193 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0296 0.0456 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis ABC transporter, putative 0.0234 0.0193 0.0175
Schistosoma mansoni multidrug resistance protein 0.0296 0.0456 1
Entamoeba histolytica P-glycoprotein-1 0.0234 0.0193 0.3991
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0861 0.2848 0.3502
Treponema pallidum quinoline 2-oxidoreductase 0.0405 0.0917 0.8682
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0296 0.0456 1
Trichomonas vaginalis ABC transporter, putative 0.0234 0.0193 0.0175
Entamoeba histolytica multidrug resistance protein, putative 0.0296 0.0456 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.0439 0.9639
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0861 0.2848 0.6475
Trichomonas vaginalis aldehyde oxidase, putative 0.2551 1 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.1203 0.4293 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0234 0.0193 0.3991
Trichomonas vaginalis abcb9, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0234 0.0193 0.0175
Echinococcus multilocularis multidrug resistance protein 1 0.0234 0.0193 0.3991
Entamoeba histolytica hypothetical protein 0.0296 0.0456 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0234 0.0193 0.3991
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.169 0.6355 1
Entamoeba histolytica P-glycoprotein-5 0.0234 0.0193 0.3991
Giardia lamblia Multidrug resistance-associated protein 1 0.0296 0.0456 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0296 0.0456 0.5
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0234 0.0193 0.4244
Trypanosoma brucei p-glycoprotein 0.0296 0.0456 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0234 0.0193 0.0175
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.1203 0.4293 0.618
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0296 0.0456 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0234 0.0193 0.3991
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0296 0.0456 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0234 0.0193 0.3991
Entamoeba histolytica P-glycoprotein-2 0.0234 0.0193 0.3991
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0296 0.0456 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0234 0.0193 0.0175
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0296 0.0456 1
Onchocerca volvulus 0.0234 0.0193 0.5
Schistosoma mansoni multidrug resistance protein 0.0234 0.0193 0.3991
Giardia lamblia Multidrug resistance-associated protein 1 0.0292 0.0439 0.9623
Loa Loa (eye worm) hypothetical protein 0.0234 0.0193 0.4244
Trichomonas vaginalis abcb9, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis taga, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Entamoeba histolytica ATP-binding cassette protein, putative 0.0296 0.0456 1
Echinococcus granulosus multidrug resistance protein 1 0.0234 0.0193 0.3991
Entamoeba histolytica P-glyco protein 6, putative 0.0234 0.0193 0.3991
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0234 0.0193 0.0175
Entamoeba histolytica P-glycoprotein 5, putative 0.0234 0.0193 0.3991
Brugia malayi ABC transporter family protein 0.0234 0.0193 0.3991
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0487 0.1264 0.2612
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Brugia malayi ABC transporter transmembrane region family protein 0.0296 0.0456 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0296 0.0456 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0234 0.0193 0.3991
Loa Loa (eye worm) multidrug resistance protein 3 0.0234 0.0193 0.4244
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.023 0.0177 0.3614
Treponema pallidum hypothetical protein 0.0415 0.0958 1
Plasmodium falciparum multidrug resistance protein 1 0.0234 0.0193 1
Giardia lamblia ABC transporter, putative 0.0296 0.0456 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.0019 0.042
Schistosoma mansoni multidrug resistance protein 0.0234 0.0193 0.3991
Loa Loa (eye worm) hypothetical protein 0.023 0.0177 0.3882
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0487 0.1264 0.0568
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis ABC transporter, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0234 0.0193 0.0175
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0296 0.0456 1
Schistosoma mansoni smdr2 0.0234 0.0193 0.3991
Trichomonas vaginalis ABC transporter, putative 0.0234 0.0193 0.0175
Echinococcus granulosus multidrug resistance protein 1 0.0234 0.0193 0.3991
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.1203 0.4293 0.618
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Echinococcus multilocularis ATP binding cassette sub family B 0.023 0.0177 0.3614
Leishmania major pentamidine resistance protein 1 0.0296 0.0456 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.2551 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0234 0.0193 0.0175
Leishmania major p-glycoprotein e 0.0296 0.0456 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0234 0.0193 0.3991
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Echinococcus multilocularis multidrug resistance associated protein 1 0.0296 0.0456 1
Loa Loa (eye worm) hypothetical protein 0.0296 0.0456 1
Leishmania major ABC-thiol transporter 0.0296 0.0456 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0296 0.0456 0.5
Loa Loa (eye worm) hypothetical protein 0.0234 0.0193 0.4244
Entamoeba histolytica ABC transporter, putative 0.0296 0.0456 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0234 0.0193 0.0175
Trichomonas vaginalis abcb9, putative 0.0234 0.0193 0.0175
Trypanosoma brucei multidrug resistance protein E 0.0296 0.0456 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0487 0.1264 0.0568
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0234 0.0193 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0296 0.0456 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0234 0.0193 0.0175
Brugia malayi multidrug resistance related protein 1 0.0296 0.0456 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0296 0.0456 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0234 0.0193 0.0175

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.076 uM Inhibition of farnesyltransferase activity ChEMBL. 16298128
IC50 (binding) = 0.076 uM Inhibition of farnesyltransferase activity ChEMBL. 16298128

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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