TDR Targets

Basic information

Technical information

TDR Targets ID: 1611695
Name: [(1-chloro-2-methylpropylidene)amino] N-(3-ch loro-4-fluorophenyl)carbamate
MW: 293.122 | Formula: C11H11Cl2FN2O2
H donors: 1 H acceptors: 1 LogP: 4.29 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(c(c1)Cl)F)O/N=C(/C(C)C)\Cl
InChi: 1S/C11H11Cl2FN2O2/c1-6(2)10(13)16-18-11(17)15-7-3-4-9(14)8(12)5-7/h3-6H,1-2H3,(H,15,17)/b16-10-
InChiKey: JOUSUXBSQKEFDO-YBEGLDIGSA-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-chloro-2-methyl-propylidene)amino] N-(3-chloro-4-fluoro-phenyl)carbamate
N-(3-chloro-4-fluorophenyl)carbamic acid [(1-chloro-2-methylpropylidene)amino] ester
N-(3-chloro-4-fluoro-phenyl)carbamic acid [(1-chloro-2-methyl-propylidene)amino] ester
AIDS-149117
AIDS149117
N-(((3-Chloro-4-fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride
NSC682824
Propanimidoyl chloride, N-[[[(3-chloro-4-fluorophenyl) amino]carbonyl]oxy]-2-methyl-
NCI60_029689

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
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0071	0.2563	0.3471
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.7233	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.3884	0.5317
Echinococcus granulosus	GPCR family 2	0.0027	0.0527	0.1173
Echinococcus multilocularis	GPCR, family 2	0.0027	0.0527	0.1173
Loa Loa (eye worm)	hypothetical protein	0.0059	0.2023	0.2716
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0027	0.0527	0.0624
Loa Loa (eye worm)	transcription factor SMAD2	0.0079	0.2934	0.3989
Loa Loa (eye worm)	hypothetical protein	0.0087	0.3313	0.4519
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.7233	1
Echinococcus granulosus	transcription factor eb	0.0071	0.2579	0.657
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0018	0.0081	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.7233	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.3884	1
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0018	0.0081	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.7233	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.3884	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0059	0.2023	0.2716
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0018	0.0081	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0118	0.4766	0.6551
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0027	0.0527	0.1173
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0087	0.3313	0.4519
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0087	0.3313	0.4519
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Schistosoma mansoni	hypothetical protein	0.0027	0.0527	0.1358
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.7233	1
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0071	0.2579	0.3493
Brugia malayi	MH2 domain containing protein	0.0079	0.2934	0.3989
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.3884	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.3884	0.5317
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.3884	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0027	0.0527	0.0624
Schistosoma mansoni	hypothetical protein	0.0059	0.2023	0.521
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0027	0.0527	0.1173
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.017	0.7233	1
Entamoeba histolytica	hypothetical protein	0.0065	0.23	0.2237
Schistosoma mansoni	hypothetical protein	0.0027	0.0527	0.1358
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0527	0.0624
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0018	0.0081	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Trichomonas vaginalis	glucosylceramidase, putative	0.0118	0.4766	0.6551
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.3884	1
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.7233	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.3884	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2563	0.3471
Loa Loa (eye worm)	MH2 domain-containing protein	0.0079	0.2934	0.3989
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0027	0.0527	0.1173
Plasmodium falciparum	flap endonuclease 1	0.0018	0.0081	0.5
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0065	0.23	0.2237
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0087	0.3313	0.4519
Onchocerca volvulus	Glucosylceramidase homolog	0.0112	0.4484	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0027	0.0527	0.1173
Trichomonas vaginalis	glucosylceramidase, putative	0.0112	0.4484	0.6156
Brugia malayi	Latrophilin receptor protein 2	0.0027	0.0527	0.0624
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.3884	1
Schistosoma mansoni	hypothetical protein	0.0027	0.0527	0.1358
Echinococcus multilocularis	transcription factor eb	0.0071	0.2579	0.657
Plasmodium vivax	flap endonuclease 1, putative	0.0018	0.0081	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.017	0.7233	1
Schistosoma mansoni	hypothetical protein	0.0027	0.0527	0.1358
Giardia lamblia	DNA repair protein RAD52	0.0229	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.799	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)	-5.754	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)	-5.726	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)	-5.708	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)	-5.693	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)	-5.407	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.192	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)	-4.883	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)	-4.849	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
GI50 (functional)	-4.791	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)	-4.776	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

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: CHEMBL1977996

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 1611695