TDR Targets

Basic information

Technical information

TDR Targets ID: 1625815
Name: 1-[7-[bis(2-chloroethyl)amino]-9H-fluoren-2-y l]-3-propylurea
MW: 406.349 | Formula: C21H25Cl2N3O
H donors: 2 H acceptors: 1 LogP: 4.75 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)N(CCCl)CCCl
InChi: 1S/C21H25Cl2N3O/c1-2-9-24-21(27)25-17-3-5-19-15(13-17)12-16-14-18(4-6-20(16)19)26(10-7-22)11-8-23/h3-6,13-14H,2,7-12H2,1H3,(H2,24,25,27)
InChiKey: GLJZANKYEVWKEB-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

1-[7-[bis(2-chloroethyl)amino]-9H-fluoren-2-yl]-3-propyl-urea
6662-94-8
NSC83327

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
Toxoplasma gondii	facilitative glucose transporter GT1	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0849	0.3822	0.5
Schistosoma mansoni	glucose transport protein	0.0849	0.3822	0.5
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0849	0.3822	0.3822
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Toxoplasma gondii	transporter, major facilitator family protein	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trichomonas vaginalis	glucose transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0849	0.3822	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Plasmodium vivax	hexose transporter	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Mycobacterium ulcerans	sugar transporter	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Giardia lamblia	Sugar-proton symporter	0.0849	0.3822	0.5
Toxoplasma gondii	sugar transporter ST3	0.0849	0.3822	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0849	0.3822	1
Brugia malayi	Sugar transporter family protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter 1E	0.0849	0.3822	0.5
Leishmania major	myo-inositol/proton symporter (MIT)	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Schistosoma mansoni	sugar transporter	0.0849	0.3822	0.5
Toxoplasma gondii	sugar transporter ST2	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0849	0.3822	0.5
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0849	0.3822	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 22	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Schistosoma mansoni	glucose transport protein	0.0849	0.3822	0.5
Brugia malayi	hypothetical protein	0.0849	0.3822	1
Trypanosoma brucei	glucose transporter 2A	0.0849	0.3822	0.5
Schistosoma mansoni	glucose transport protein	0.0849	0.3822	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Schistosoma mansoni	glucose transporter	0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transport protein, putative	0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0849	0.3822	1
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trichomonas vaginalis	glucose transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 22	0.0849	0.3822	0.3822
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Echinococcus granulosus	synaptic vesicle 2 protein	0.0849	0.3822	0.3822
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0849	0.3822	1
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0849	0.3822	1
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0849	0.3822	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0849	0.3822	0.5
Leishmania major	hypothetical protein, conserved	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Schistosoma mansoni	hypothetical protein	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	glucose transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0849	0.3822	0.3822
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 22	0.0849	0.3822	1
Brugia malayi	hypothetical protein	0.0849	0.3822	1
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0849	0.3822	0.3822
Brugia malayi	hypothetical protein	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Brugia malayi	Sugar transporter family protein	0.0849	0.3822	1
Brugia malayi	major facilitator superfamily protein	0.0849	0.3822	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 22	0.0849	0.3822	0.3822
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trypanosoma cruzi	sugar transporter, putative	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Schistosoma mansoni	sugar transporter	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Loa Loa (eye worm)	sugar transporter	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trichomonas vaginalis	conserved hypothetical protein	0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 22	0.0849	0.3822	1
Plasmodium vivax	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 22	0.0849	0.3822	1
Trichomonas vaginalis	myo-inositol transporter, putative	0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Schistosoma mansoni	sugar transporter	0.0849	0.3822	0.5
Leishmania major	glucose transporter, lmgt1	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Onchocerca volvulus	Putative transporter	0.0849	0.3822	0.5
Plasmodium falciparum	hexose transporter	0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Schistosoma mansoni	sugar transporter	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 22	0.0849	0.3822	0.3822
Brugia malayi	Major Facilitator Superfamily protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0849	0.3822	0.3822
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Trypanosoma cruzi	glucose transporter, putative	0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0849	0.3822	1
Loa Loa (eye worm)	sugar transporter	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Brugia malayi	major facilitator superfamily protein	0.0849	0.3822	1
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Giardia lamblia	Hexose transporter	0.0849	0.3822	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0849	0.3822	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0849	0.3822	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0849	0.3822	0.5
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0849	0.3822	1
Trichomonas vaginalis	sugar transporter, putative	0.0849	0.3822	0.5
Mycobacterium ulcerans	integral membrane transport protein	0.0849	0.3822	0.5
Leishmania major	glucose transporter, lmgt3	0.0849	0.3822	1
Onchocerca volvulus		0.0849	0.3822	0.5
Trypanosoma cruzi	hexose transporter	0.0849	0.3822	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0849	0.3822	0.3822
Onchocerca volvulus		0.0849	0.3822	0.5
Onchocerca volvulus		0.0849	0.3822	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	0.3822	1
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0849	0.3822	0.5
Echinococcus granulosus	solute carrier family 22	0.0849	0.3822	0.3822
Trypanosoma brucei	sugar transporter, putative	0.0849	0.3822	0.5
Trypanosoma brucei	glucose transporter, putative	0.0849	0.3822	0.5
Toxoplasma gondii	sugar transporter ST1	0.0849	0.3822	0.5
Brugia malayi	Sugar transporter family protein	0.0849	0.3822	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0849	0.3822	1
Leishmania major	glucose transporter, lmgt2	0.0849	0.3822	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.262	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.257	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.226	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.864	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.835	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.76	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.598	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.481	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.444	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.442	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1991781

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1625815