TDR Targets

Basic information

Technical information

TDR Targets ID: 1624917
Name: (4-methyl-2-oxochromen-7-yl) N-(3,4-dichlorop henyl)carbamate
MW: 364.18 | Formula: C17H11Cl2NO4
H donors: 1 H acceptors: 2 LogP: 4.22 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(c(c1)Cl)Cl)Oc1ccc2c(c1)oc(=O)cc2C
InChi: 1S/C17H11Cl2NO4/c1-9-6-16(21)24-15-8-11(3-4-12(9)15)23-17(22)20-10-2-5-13(18)14(19)7-10/h2-8H,1H3,(H,20,22)
InChiKey: QTQXCJVAXPNMMB-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

(4-methyl-2-oxo-chromen-7-yl) N-(3,4-dichlorophenyl)carbamate
N-(3,4-dichlorophenyl)carbamic acid (4-methyl-2-oxo-7-chromenyl) ester
N-(3,4-dichlorophenyl)carbamic acid (2-keto-4-methyl-chromen-7-yl) ester
NCI60_002206
NSC270101

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
Brugia malayi	TAR-binding protein	0.0074	0.0237	0.0358
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.003	1
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0864	0.3316	0.4999
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0057	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0057	0.148
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.003	0.0045
Loa Loa (eye worm)	hypothetical protein	0.071	0.2713	0.4091
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0864	0.3316	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.003	0.0013
Brugia malayi	Cathepsin L-like precursor	0.002	0.0025	0.0038
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.0237	0.0358
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.0237	0.0358
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0025	0.4428
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0057	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0025	0.0038
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0025	0.0041
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0025	0.0038
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0057	0.0083
Onchocerca volvulus		0.071	0.2713	0.4463
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0057	0.0086
Leishmania major	cathepsin L-like protease	0.0074	0.0239	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Onchocerca volvulus		0.002	0.0025	0.0041
Entamoeba histolytica	cysteine protease, putative	0.002	0.0025	0.4428
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Onchocerca volvulus		0.002	0.0025	0.0041
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Loa Loa (eye worm)	ctsf protein	0.002	0.0025	0.0038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0025	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.0864	0.3316	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0025	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0021	0.003	0.0045
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0237	0.0613
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0864	0.3316	0.4999
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0057	0.0086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0239	1
Onchocerca volvulus		0.0028	0.0057	0.0094
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.0237	0.0212
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0025	0.0065
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0057	0.148
Loa Loa (eye worm)	RNA binding protein	0.0074	0.0237	0.0358
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0025	0.0038
Brugia malayi	RNA binding protein	0.0074	0.0237	0.0358
Brugia malayi	Hemopexin family protein	0.1006	0.3869	0.5832
Brugia malayi	Cathepsin L-like precursor	0.002	0.0025	0.0038
Brugia malayi	Cathepsin L-like precursor	0.002	0.0025	0.0038
Echinococcus multilocularis	microtubule associated protein 2	0.0806	0.3088	0.307
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.003	0.0045
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0025	0.0041
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0057	0.148
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0025	0.0025
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0237	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0057	0.0086
Onchocerca volvulus		0.002	0.0025	0.0041
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0057	0.0086
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0057	0.0083
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.003	1
Echinococcus multilocularis	tumor protein p63	0.0394	0.1486	0.1464
Loa Loa (eye worm)	fibroinase	0.002	0.0025	0.0038
Schistosoma mansoni	microtubule-associated protein tau	0.0806	0.3088	0.7981
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0239	1
Onchocerca volvulus		0.002	0.0025	0.0041
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0057	0.0083
Leishmania major	cathepsin L-like protease	0.0074	0.0239	1
Loa Loa (eye worm)	cysteine protease	0.002	0.0025	0.0038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0025	0.0065
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0025	0.0041
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Echinococcus granulosus	cathepsin l1	0.002	0.0025	0.0025
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0057	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0057	0.0086
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0057	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0021	0.003	0.0045
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0057	1
Onchocerca volvulus		0.002	0.0025	0.0041
Echinococcus granulosus	tumor protein p63	0.0394	0.1486	0.1486
Brugia malayi	Cathepsin L-like precursor	0.002	0.0025	0.0038
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0025	0.4428
Echinococcus granulosus	tar DNA binding protein	0.0074	0.0237	0.0237
Brugia malayi	Matrixin family protein	0.071	0.2713	0.4091
Brugia malayi	Matrixin family protein	0.071	0.2713	0.4091
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0057	0.0083
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0237	0.0613
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.258	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Brugia malayi	Matrixin family protein	0.071	0.2713	0.4091
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0057	0.0083
Brugia malayi	Matrixin family protein	0.071	0.2713	0.4091
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0174	0.0262
Leishmania major	cathepsin L-like protease	0.0074	0.0239	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0237	0.0613
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.0174	0.045
Onchocerca volvulus		0.0058	0.0174	0.0286
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Loa Loa (eye worm)	matrixin family protein	0.1574	0.608	0.9167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0025	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0025	0.0038
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.003	0.5
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.071	0.2713	0.7014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Loa Loa (eye worm)	matrix metalloproteinase	0.071	0.2713	0.4091
Mycobacterium ulcerans	hydrolase	0.0864	0.3316	1
Onchocerca volvulus	Matrilysin homolog	0.071	0.2713	0.4463
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0025	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0074	0.0239	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0057	1
Loa Loa (eye worm)	hypothetical protein	0.071	0.2713	0.4091
Loa Loa (eye worm)	hypothetical protein	0.0021	0.003	0.0045
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0057	0.0096
Loa Loa (eye worm)	hypothetical protein	0.071	0.2713	0.4091
Brugia malayi	Matrixin family protein	0.1716	0.6633	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0057	0.0086
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0074	0.0239	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.0237	0.0358
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.0177	0.7098
Toxoplasma gondii	cathepsin CPL	0.002	0.0025	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0057	0.0096
Onchocerca volvulus	Matrilysin homolog	0.1574	0.608	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0074	0.0239	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0237	0.0613
Echinococcus granulosus	microtubule associated protein 2	0.0806	0.3088	0.3088
Schistosoma mansoni	hypothetical protein	0.1006	0.3869	1
Onchocerca volvulus		0.002	0.0025	0.0041
Onchocerca volvulus		0.002	0.0025	0.0041
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0025	1
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0025	0.0038
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.0214	0.8824
Onchocerca volvulus	Matrix metalloproteinase homolog	0.1574	0.608	1
Loa Loa (eye worm)	matrixin family protein	0.1716	0.6633	1
Onchocerca volvulus		0.1006	0.3869	0.6363

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.865	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)	-4.792	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)	-4.732	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)	-4.725	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)	-4.683	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)	-4.679	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)	-4.671	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)	-4.637	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)	-4.597	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)	-4.597	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)	-4.563	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: CHEMBL1998527

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 1624917