TDR Targets

Basic information

Technical information

TDR Targets ID: 419885
Name: 1-benzhydryl-3-(4-fluorophenyl)urea
MW: 320.36 | Formula: C20H17FN2O
H donors: 2 H acceptors: 1 LogP: 4.22 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(c1ccccc1)c1ccccc1)Nc1ccc(cc1)F
InChi: 1S/C20H17FN2O/c21-17-11-13-18(14-12-17)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,23,24)
InChiKey: MAYDFCJISPPVAE-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[di(phenyl)methyl]-3-(4-fluorophenyl)urea
Oprea1_189494
Oprea1_597253
ZINC00287207
AG-690/15432095
1-Benzhydryl-3-(4-fluoro-phenyl)-urea
BAS 02085691

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	alpha tubulin	0.0047	0.2892	0.2892
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0081	0.9375	0.5
Trypanosoma brucei	beta tubulin	0.0085	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0039	0.1402	0.1402
Brugia malayi	Tubulin alpha-2 chain	0.0047	0.2892	0.2892
Brugia malayi	Tubulin gamma chain	0.0039	0.1402	0.1402
Loa Loa (eye worm)	BEN-1 protein	0.0085	1	1
Leishmania major	beta tubulin	0.0085	1	1
Loa Loa (eye worm)	beta-tubulin	0.0085	1	1
Schistosoma mansoni	tubulin subunit beta	0.0085	1	1
Leishmania major	beta tubulin	0.0085	1	1
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0081	0.9375	0.9273
Trypanosoma cruzi	p450 reductase, putative	0.0081	0.9375	0.9375
Entamoeba histolytica	tubulin gamma chain	0.0039	0.1402	0.1402
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Trypanosoma cruzi	beta tubulin, putative	0.0085	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0047	0.2892	0.2892
Echinococcus granulosus	tubulin alpha 1C chain	0.0047	0.2892	0.1733
Leishmania major	beta tubulin	0.0085	1	1
Giardia lamblia	Nitric oxide synthase, inducible	0.0072	0.7649	0.7266
Schistosoma mansoni	tubulin subunit alpha	0.0047	0.2892	0.1733
Plasmodium falciparum	alpha tubulin 2	0.0047	0.2892	0.2892
Trypanosoma brucei	beta tubulin	0.0039	0.1402	0.1402
Leishmania major	beta tubulin	0.0085	1	1
Brugia malayi	alpha-tubulin	0.0047	0.2892	0.2892
Trypanosoma brucei	beta tubulin	0.0085	1	1
Trypanosoma brucei	epsilon tubulin	0.0039	0.1402	0.1402
Trypanosoma cruzi	tubulin gamma chain	0.0039	0.1402	0.1402
Entamoeba histolytica	tubulin family protein	0.0085	1	1
Giardia lamblia	Alpha-tubulin	0.0047	0.2892	0.1733
Plasmodium vivax	tubulin alpha chain, putative	0.0047	0.2892	0.2892
Leishmania major	beta tubulin	0.0085	1	1
Schistosoma mansoni	tubulin subunit beta	0.0085	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0085	1	1
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0081	0.9375	0.9273
Schistosoma mansoni	tubulin subunit beta	0.0085	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0047	0.2892	0.1733
Echinococcus multilocularis	Tubulin beta 2C chain	0.0085	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0039	0.1402	0.1402
Echinococcus multilocularis	tubulin beta 1 chain	0.0085	1	1
Leishmania major	beta tubulin	0.0085	1	1
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Toxoplasma gondii	beta-1 tubulin, putative	0.0085	1	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0039	0.1402	0.1402
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Echinococcus granulosus	methionine synthase reductase	0.005	0.3568	0.2518
Loa Loa (eye worm)	tubulin beta-1 chain	0.0085	1	1
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0081	0.9375	0.9273
Echinococcus multilocularis	tubulin alpha chain	0.0047	0.2892	0.1733
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0081	0.9375	0.9375
Schistosoma mansoni	tubulin subunit beta	0.0085	1	1
Leishmania major	epsilon tubulin, putative	0.0039	0.1402	0.1402
Toxoplasma gondii	beta-tubulin, putative	0.0085	1	1
Trichomonas vaginalis	tubulin, putative	0.0085	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0085	1	1
Trypanosoma brucei	beta tubulin	0.0085	1	1
Brugia malayi	FAD binding domain containing protein	0.0081	0.9375	0.9375
Echinococcus granulosus	Tubulin beta 2C chain	0.0085	1	1
Leishmania major	beta tubulin	0.0085	1	1
Leishmania major	cytochrome P450 reductase, putative	0.0072	0.7649	0.7649
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0081	0.9375	0.9273
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0081	0.9375	0.9375
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Entamoeba histolytica	tubulin alpha-1 chain	0.0047	0.2892	0.2892
Echinococcus granulosus	Tubulin alpha 1 chain	0.0047	0.2892	0.1733
Trypanosoma brucei	beta tubulin	0.0085	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0039	0.1402	0.1402
Loa Loa (eye worm)	alpha-tubulin	0.0047	0.2892	0.2892
Toxoplasma gondii	alpha tubulin TUBA1	0.0047	0.2892	0.1733
Plasmodium vivax	tubulin alpha chain, putative	0.0047	0.2892	0.2892
Echinococcus granulosus	Tubulin beta 2C chain	0.0085	1	1
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0081	0.9375	0.9375
Schistosoma mansoni	tubulin subunit beta	0.0085	1	1
Leishmania major	p450 reductase, putative	0.0081	0.9375	0.9375
Schistosoma mansoni	alpha tubulin	0.0047	0.2892	0.1733
Leishmania major	beta tubulin	0.0085	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0047	0.2892	0.2892
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Plasmodium falciparum	nitric oxide synthase, putative	0.0081	0.9375	0.9375
Plasmodium vivax	flavodoxin domain containing protein	0.0072	0.7649	0.7649
Echinococcus multilocularis	tubulin alpha 1C chain	0.0047	0.2892	0.1733
Trypanosoma cruzi	alpha tubulin, putative	0.0047	0.2892	0.2892
Trypanosoma cruzi	epsilon tubulin, putative	0.0039	0.1402	0.1402
Chlamydia trachomatis	sulfite reductase	0.005	0.3568	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0047	0.2892	0.1733
Echinococcus granulosus	Tubulin alpha 1 chain	0.0047	0.2892	0.1733
Echinococcus multilocularis	beta tubulin	0.0085	1	1
Echinococcus granulosus	tubulin alpha chain	0.0047	0.2892	0.1733
Trypanosoma brucei	tubulin gamma chain	0.0039	0.1402	0.1402
Echinococcus multilocularis	Tubulin beta 2C chain	0.0085	1	1
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0081	0.9375	0.9375
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.005	0.3568	0.2518
Brugia malayi	tubulin alpha-2 chain	0.0047	0.2892	0.2892
Trichomonas vaginalis	tubulin gamma chain, putative	0.0085	1	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0081	0.9375	0.9375
Schistosoma mansoni	cytochrome P450 reductase	0.0081	0.9375	0.9273
Echinococcus granulosus	beta tubulin	0.0085	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0047	0.2892	0.2892
Echinococcus multilocularis	tubulin alpha chain	0.0047	0.2892	0.1733
Echinococcus multilocularis	Tubulin beta 2C chain	0.0085	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0039	0.1402	0.1402
Leishmania major	beta tubulin	0.0085	1	1
Plasmodium vivax	tubulin gamma chain, putative	0.0039	0.1402	0.1402
Leishmania major	beta tubulin	0.0085	1	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0081	0.9375	0.9375
Loa Loa (eye worm)	tubulin beta-2A chain	0.0085	1	1
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0041	0.1841	0.0511
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0047	0.2892	0.2892
Echinococcus granulosus	tubulin alpha chain	0.0047	0.2892	0.1733
Toxoplasma gondii	alpha-tubulin I, putative	0.0047	0.2892	0.1733
Echinococcus multilocularis	Tubulin beta 2C chain	0.0085	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0085	1	1
Toxoplasma gondii	beta tubulin	0.0085	1	1
Trypanosoma brucei	alpha tubulin	0.0047	0.2892	0.2892
Loa Loa (eye worm)	FAD binding domain-containing protein	0.005	0.3568	0.3568
Toxoplasma gondii	flavodoxin domain-containing protein	0.004	0.1726	0.0377
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0081	0.9375	0.9375
Echinococcus granulosus	tubulin beta 1 chain	0.0085	1	1
Trypanosoma brucei	epsilon tubulin	0.0039	0.1402	0.1402
Plasmodium falciparum	alpha tubulin 1	0.0047	0.2892	0.2892
Schistosoma mansoni	tubulin subunit beta	0.0085	1	1
Giardia lamblia	Beta tubulin	0.0085	1	1
Schistosoma mansoni	alpha tubulin	0.0047	0.2892	0.1733
Trypanosoma brucei	alpha tubulin	0.0047	0.2892	0.2892
Brugia malayi	Tubulin alpha chain	0.0047	0.2892	0.2892
Schistosoma mansoni	alpha tubulin	0.0047	0.2892	0.1733
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0072	0.7649	0.7649
Echinococcus multilocularis	tubulin alpha 3 chain	0.0047	0.2892	0.1733
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0081	0.9375	0.9375
Trichomonas vaginalis	tubulin beta chain, putative	0.0047	0.2892	0.2892
Brugia malayi	tubulin alpha chain - mouse	0.0047	0.2892	0.2892
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0047	0.2892	0.2892
Trichomonas vaginalis	tubulin beta chain, putative	0.0047	0.2892	0.2892
Giardia lamblia	Beta tubulin	0.0085	1	1
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0081	0.9375	0.9375
Leishmania major	beta tubulin	0.0085	1	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0081	0.9375	0.9375
Loa Loa (eye worm)	hypothetical protein	0.0047	0.2892	0.2892
Leishmania major	beta tubulin	0.0085	1	1
Treponema pallidum	flavodoxin	0.0031	0	0.5
Trichomonas vaginalis	sulfite reductase, putative	0.0081	0.9375	0.9375
Giardia lamblia	Alpha-tubulin	0.0047	0.2892	0.1733
Trichomonas vaginalis	tubulin gamma chain, putative	0.0039	0.1402	0.1402
Plasmodium vivax	tubulin beta chain, putative	0.0085	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0085	1	1
Echinococcus multilocularis	beta tubulin	0.0085	1	1
Trypanosoma brucei	alpha tubulin	0.0047	0.2892	0.2892
Loa Loa (eye worm)	tubulin beta-4 chain	0.0085	1	1
Echinococcus granulosus	tubulin subunit beta	0.0085	1	1
Entamoeba histolytica	tubulin family protein	0.0085	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0047	0.2892	0.2892
Leishmania major	gamma-tubulin	0.0039	0.1402	0.1402
Echinococcus multilocularis	tubulin subunit beta	0.0085	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0085	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0047	0.2892	0.1733
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0047	0.2892	0.1733
Echinococcus granulosus	tubulin alpha chain	0.0047	0.2892	0.1733
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Leishmania major	beta tubulin	0.0085	1	1
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Loa Loa (eye worm)	hypothetical protein	0.0081	0.9375	0.9375
Brugia malayi	FAD binding domain containing protein	0.005	0.3568	0.3568
Leishmania major	beta tubulin	0.0085	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0085	1	1
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Echinococcus granulosus	tubulin alpha chain	0.0047	0.2892	0.1733
Echinococcus granulosus	alpha tubulin	0.0047	0.2892	0.1733
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Echinococcus granulosus	tubulin beta 4A class IVa	0.0085	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0047	0.2892	0.1733
Echinococcus granulosus	Tubulin beta 2C chain	0.0085	1	1
Echinococcus granulosus	tubulin alpha chain	0.0047	0.2892	0.1733
Trichomonas vaginalis	tubulin beta chain, putative	0.0047	0.2892	0.2892
Echinococcus granulosus	beta tubulin	0.0085	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0047	0.2892	0.1733
Giardia lamblia	Hypothetical protein	0.0072	0.7649	0.7266
Echinococcus granulosus	Tubulin alpha 1 chain	0.0047	0.2892	0.1733
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0085	1	1
Brugia malayi	flavodoxin family protein	0.0081	0.9375	0.9375
Leishmania major	beta tubulin	0.0085	1	1
Plasmodium falciparum	tubulin beta chain	0.0085	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0039	0.1402	0.1402
Leishmania major	beta tubulin	0.0085	1	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0047	0.2892	0.1733
Loa Loa (eye worm)	tubulin alpha chain	0.0047	0.2892	0.2892
Echinococcus multilocularis	tubulin alpha chain	0.0047	0.2892	0.1733
Schistosoma mansoni	tubulin subunit alpha	0.0047	0.2892	0.1733
Echinococcus multilocularis	tubulin alpha 3 chain	0.0047	0.2892	0.1733
Brugia malayi	Tubulin alpha-2 chain	0.0047	0.2892	0.2892
Toxoplasma gondii	flavodoxin domain-containing protein	0.004	0.1726	0.0377
Echinococcus multilocularis	tubulin alpha chain	0.0047	0.2892	0.1733
Plasmodium falciparum	tubulin gamma chain	0.0039	0.1402	0.1402
Brugia malayi	beta-tubulin, identical	0.0085	1	1
Schistosoma mansoni	diflavin oxidoreductase	0.004	0.1726	0.0377
Giardia lamblia	Beta tubulin	0.0085	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0047	0.2892	0.2892
Leishmania major	alpha tubulin	0.0047	0.2892	0.2892
Echinococcus granulosus	tubulin alpha 3 chain	0.0047	0.2892	0.1733
Trichomonas vaginalis	tubulin beta chain, putative	0.0085	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0047	0.2892	0.1733
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0047	0.2892	0.1733
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0085	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0085	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0047	0.2892	0.1733
Leishmania major	beta tubulin	0.0085	1	1
Trypanosoma brucei	epsilon tubulin	0.0039	0.1402	0.1402
Trichomonas vaginalis	tubulin beta chain, putative	0.0047	0.2892	0.2892
Echinococcus multilocularis	tubulin alpha 1C chain	0.0047	0.2892	0.1733
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0047	0.2892	0.2892
Echinococcus multilocularis	hypothetical protein	0.0047	0.2892	0.1733
Trichomonas vaginalis	tubulin beta chain, putative	0.0047	0.2892	0.2892
Echinococcus multilocularis	methionine synthase reductase	0.005	0.3568	0.2518
Leishmania major	beta tubulin	0.0085	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0047	0.2892	0.1733

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	< 10 %	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells at 10 uM	ChEMBL.	16279809
Activity (binding)	< 10 %	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells at 10 uM	ChEMBL.	16279809
Activity (binding)	= 23 %	Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells at 10 uM	ChEMBL.	16279809
Activity (binding)	= 23 %	Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells at 10 uM	ChEMBL.	16279809
Ki (binding)	0	Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells	ChEMBL.	16279809

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

ChEMBL: CHEMBL224575
PubChem: 788241
Search by Saint Jude

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 419885