TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 504.41 | Formula: C27H23Cl2N5O
H donors: 1 H acceptors: 2 LogP: 4.02 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc(cc1)C(c1cncn1C)(c1ccc2c(c1)C(=NCC(=O)N2C)c1cccc(c1)Cl)N
InChi: 1S/C27H23Cl2N5O/c1-33-16-31-14-24(33)27(30,18-6-9-20(28)10-7-18)19-8-11-23-22(13-19)26(32-15-25(35)34(23)2)17-4-3-5-21(29)12-17/h3-14,16H,15,30H2,1-2H3
InChiKey: NOECLYKTPGJCOD-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	Get druggable targets OG5_128459	All targets in OG5_128459
Cryptosporidium parvum	farnesyltransferase	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
Cryptosporidium hominis	farnesyltransferase	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
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	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
Echinococcus granulosus	protein farnesyltransferase alpha subunit	Get druggable targets OG5_128459	All targets in OG5_128459
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 vivax	prenyltransferase alpha subunit, putative	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
Neospora caninum	hypothetical protein	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
Giardia lamblia	Rab geranylgeranyltransferase	Get druggable targets OG5_128459	All targets in OG5_128459
Toxoplasma gondii	hypothetical protein	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
Plasmodium knowlesi	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
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
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
Plasmodium berghei	protein farnesyltransferase subunit alpha, putative	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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	vivapain-2	0.0088	0.2466	0.2466
Schistosoma mansoni	cathepsin F (C01 family)	0.0088	0.2466	0.2466
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0088	0.2466	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0193	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Entamoeba histolytica	cysteine proteinase, putative	0.0056	0.022	0.022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0056	0.022	0.022
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0088	0.2466	0.2296
Loa Loa (eye worm)	cathepsin B	0.0066	0.0905	0.07
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0088	0.2466	0.2466
Onchocerca volvulus		0.0088	0.2466	1
Loa Loa (eye worm)	cysteine protease	0.0088	0.2466	0.2296
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0193	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0088	0.2466	0.2466
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0193	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0056	0.022	0.022
Echinococcus granulosus	cathepsin l1	0.0056	0.022	0.022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Onchocerca volvulus	Cathepsin L homolog	0.0088	0.2466	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0088	0.2466	0.2466
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0088	0.2466	0.3106
Onchocerca volvulus		0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0088	0.2466	0.2466
Onchocerca volvulus		0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0066	0.0905	0.3668
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0088	0.2466	0.2296
Echinococcus multilocularis	cysteine protease	0.0088	0.2466	0.2466
Onchocerca volvulus	Cathepsin L homolog	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Brugia malayi	Papain family cysteine protease containing protein	0.0088	0.2466	0.2466
Trypanosoma cruzi	cysteine peptidase, putative	0.0088	0.2466	0.3106
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0088	0.2466	0.3106
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2466	0.2466
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0066	0.0905	0.0905
Toxoplasma gondii	cathepsin CPL	0.0088	0.2466	0.2832
Onchocerca volvulus		0.0088	0.2466	1
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Echinococcus granulosus	cathepsin b	0.0164	0.7941	0.7941
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0088	0.2466	0.2466
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0193	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Toxoplasma gondii	hypothetical protein	0.0143	0.6418	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.2466	0.2296
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0164	0.7941	0.7941
Loa Loa (eye worm)	fibroinase	0.0088	0.2466	0.2296
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2466	0.2466
Brugia malayi	Cathepsin L-like precursor	0.0056	0.022	0.022
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.2466	0.2466
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0143	0.6418	0.6418
Leishmania major	cysteine peptidase A (CPA)	0.0088	0.2466	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0088	0.2466	0.2466
Echinococcus multilocularis	cathepsin b	0.0164	0.7941	0.7941
Schistosoma mansoni	cathepsin F (C01 family)	0.0056	0.022	0.022
Loa Loa (eye worm)	ctsf protein	0.0088	0.2466	0.2296
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0164	0.7941	0.7941
Brugia malayi	cathepsin B-like cysteine proteinase	0.0164	0.7941	0.7941
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2466	0.2466
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0193	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0088	0.2466	0.2466
Plasmodium vivax	vivapain-2	0.0088	0.2466	0.2466
Echinococcus multilocularis	cysteine protease	0.0088	0.2466	0.2466
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0088	0.2466	0.2466
Echinococcus multilocularis	cathepsin b	0.0164	0.7941	0.7941
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2466	0.2466
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0164	0.7941	1
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Echinococcus granulosus	cathepsin l1	0.0088	0.2466	0.2466
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.022	0.0277
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Echinococcus multilocularis	cathepsin L cysteine protease	0.0088	0.2466	0.2466
Loa Loa (eye worm)	hypothetical protein	0.0164	0.7941	0.7895
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0193	1	1
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0193	1	1
Onchocerca volvulus		0.0088	0.2466	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Brugia malayi	cathepsin L-like precursor	0.0056	0.022	0.022
Brugia malayi	Cathepsin L-like precursor	0.0056	0.022	0.022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0193	1	1
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0193	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0066	0.0905	0.1139
Giardia lamblia	Rab geranylgeranyltransferase	0.0193	1	1
Echinococcus granulosus	cathepsin b	0.0164	0.7941	0.7941
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0088	0.2466	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0056	0.022	0.022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0193	1	1
Onchocerca volvulus		0.0088	0.2466	1
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2466	0.2466
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0088	0.2466	0.2466
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0088	0.2466	0.2466
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0164	0.7941	0.7941
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0164	0.7941	0.7941
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0193	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2466	0.2466
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0066	0.0905	0.0905
Entamoeba histolytica	cysteine protease, putative	0.0088	0.2466	0.2466
Onchocerca volvulus		0.0088	0.2466	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0088	0.2466	0.2466
Onchocerca volvulus	Cathepsin F homolog	0.0088	0.2466	1
Leishmania major	cathepsin L-like protease	0.0088	0.2466	1
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2466	0.2466
Trypanosoma cruzi	cysteine peptidase, putative	0.0088	0.2466	0.3106
Echinococcus multilocularis	cathepsin L cysteine protease	0.0088	0.2466	0.2466
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.2466	0.2466

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0 nM	Inhibition of T24F1H-ras-transformation in NIH 3T3 cells (Not tested)	ChEMBL.	12699751
IC50 (binding)	= 22 nM	Inhibition of farnesyl transferase at 0.1 uM	ChEMBL.	12699751
IC50 (binding)	= 22 nM	Inhibition of farnesyl transferase at 0.1 uM	ChEMBL.	12699751
IC50 (binding)	= 32 uM	Inhibition of Geranylgeranylprotein transferase-I at 10 uM	ChEMBL.	12699751
IC50 (binding)	= 32 uM	Inhibition of Geranylgeranylprotein transferase-I at 10 uM	ChEMBL.	12699751

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 54596