TDR Targets

Basic information

Technical information

TDR Targets ID: 1613006
Name: [(4-methoxyphenyl)methylideneamino]carbamic a cid
MW: 194.187 | Formula: C9H10N2O3
H donors: 2 H acceptors: 2 LogP: 1.22 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)/C=N/NC(=O)O
InChi: 1S/C9H10N2O3/c1-14-8-4-2-7(3-5-8)6-10-11-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6+
InChiKey: PBUFFVDXVPSIOA-UXBLZVDNSA-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-methoxyphenyl)methyleneamino]carbamic acid
[(4-methoxybenzylidene)amino]carbamic acid
6641-57-2
NCI60_004122
NCIStruc1_000178
NCI47652
2-(4-methoxybenzylidene)hydrazinecarboxylic acid
NSC47652
NCIStruc2_000052

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
Schistosoma mansoni	tubulin subunit beta	0.0332	1	1
Trypanosoma brucei	alpha tubulin	0.0213	0.5027	0.5027
Leishmania major	beta tubulin	0.0332	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0332	1	1
Trypanosoma brucei	epsilon tubulin	0.0164	0.2978	0.2978
Loa Loa (eye worm)	tubulin gamma chain	0.0164	0.2978	0.2069
Brugia malayi	beta-tubulin, identical	0.0332	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0332	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0213	0.5027	0.2918
Echinococcus granulosus	Tubulin alpha 1 chain	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin alpha 1C chain	0.0213	0.5027	0.2918
Toxoplasma gondii	beta-1 tubulin, putative	0.0332	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.5027	0.5027
Brugia malayi	Tubulin alpha-2 chain	0.0213	0.5027	0.5027
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0213	0.5027	0.2918
Echinococcus multilocularis	tubulin alpha 1C chain	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0332	1	1
Leishmania major	beta tubulin	0.0332	1	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.5027	0.4383
Echinococcus granulosus	Tubulin beta 2C chain	0.0332	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0213	0.5027	0.4383
Schistosoma mansoni	tubulin subunit alpha	0.0213	0.5027	0.2918
Loa Loa (eye worm)	hypothetical protein	0.0142	0.2049	0.102
Brugia malayi	Tubulin alpha-2 chain	0.0213	0.5027	0.5027
Echinococcus granulosus	beta tubulin	0.0332	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0332	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0332	1	1
Trypanosoma brucei	epsilon tubulin	0.0164	0.2978	0.2978
Giardia lamblia	Beta tubulin	0.0332	1	1
Toxoplasma gondii	beta tubulin	0.0332	1	1
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Plasmodium falciparum	alpha tubulin 2	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.5027	0.5027
Trypanosoma brucei	beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0332	1	1
Brugia malayi	Tubulin gamma chain	0.0164	0.2978	0.2978
Echinococcus multilocularis	beta tubulin	0.0332	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0213	0.5027	0.2918
Schistosoma mansoni	tubulin subunit alpha	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0213	0.5027	0.4383
Trichomonas vaginalis	tubulin alpha chain, putative	0.0164	0.2978	0.2978
Echinococcus granulosus	tubulin alpha 3 chain	0.0213	0.5027	0.2918
Brugia malayi	alpha-tubulin	0.0213	0.5027	0.5027
Trypanosoma cruzi	beta tubulin, putative	0.0332	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.5027	0.5027
Leishmania major	beta tubulin	0.0332	1	1
Schistosoma mansoni	tubulin subunit beta	0.0332	1	1
Echinococcus granulosus	alpha tubulin	0.0213	0.5027	0.2918
Trichomonas vaginalis	tubulin beta chain, putative	0.0332	1	1
Echinococcus granulosus	tubulin alpha chain	0.0213	0.5027	0.2918
Schistosoma mansoni	tubulin subunit beta	0.0332	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0332	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0332	1	1
Echinococcus granulosus	tubulin subunit beta	0.0332	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0332	1	1
Loa Loa (eye worm)	beta-tubulin	0.0332	1	1
Leishmania major	beta tubulin	0.0332	1	1
Trypanosoma brucei	beta tubulin	0.0332	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0213	0.5027	0.2918
Loa Loa (eye worm)	tubulin alpha 2	0.0142	0.2049	0.102
Echinococcus multilocularis	hypothetical protein	0.0213	0.5027	0.2918
Trypanosoma brucei	alpha tubulin	0.0213	0.5027	0.5027
Trichomonas vaginalis	tubulin gamma chain, putative	0.0164	0.2978	0.2978
Leishmania major	beta tubulin	0.0332	1	1
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Schistosoma mansoni	alpha tubulin	0.0213	0.5027	0.2918
Schistosoma mansoni	tubulin subunit alpha	0.0213	0.5027	0.2918
Loa Loa (eye worm)	tubulin beta-2A chain	0.0332	1	1
Leishmania major	beta tubulin	0.0332	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0332	1	1
Trypanosoma brucei	alpha tubulin	0.0213	0.5027	0.5027
Trypanosoma brucei	epsilon tubulin	0.0164	0.2978	0.2978
Plasmodium falciparum	tubulin beta chain	0.0332	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.5027	0.2918
Echinococcus multilocularis	Tubulin beta 2C chain	0.0332	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0332	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0332	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0142	0.2049	0.102
Loa Loa (eye worm)	tubulin beta-1 chain	0.0332	1	1
Leishmania major	beta tubulin	0.0332	1	1
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Toxoplasma gondii	beta-tubulin, putative	0.0332	1	1
Trypanosoma brucei	beta tubulin	0.0164	0.2978	0.2978
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.5027	0.5027
Giardia lamblia	Alpha-tubulin	0.0213	0.5027	0.2918
Entamoeba histolytica	tubulin family protein	0.0332	1	1
Plasmodium falciparum	alpha tubulin 1	0.0213	0.5027	0.2918
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Onchocerca volvulus		0.0093	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0332	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.5027	0.2918
Echinococcus multilocularis	peroxisome assembly protein 26	0.0213	0.5027	0.2918
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Trypanosoma brucei	beta tubulin	0.0332	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.012	0.1146	0.1146
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin alpha 1C chain	0.0213	0.5027	0.2918
Schistosoma mansoni	tubulin subunit beta	0.0332	1	1
Trichomonas vaginalis	tubulin, putative	0.0332	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin alpha chain	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin alpha chain	0.0213	0.5027	0.2918
Schistosoma mansoni	tubulin subunit beta	0.0332	1	1
Trypanosoma brucei	alpha tubulin	0.0213	0.5027	0.5027
Leishmania major	beta tubulin	0.0332	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0332	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0213	0.5027	0.2918
Brugia malayi	tubulin alpha-2 chain	0.0213	0.5027	0.5027
Entamoeba histolytica	tubulin alpha chain, putative	0.0213	0.5027	0.2918
Brugia malayi	tubulin alpha chain - mouse	0.0213	0.5027	0.5027
Echinococcus granulosus	tubulin beta 4A class IVa	0.0332	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0213	0.5027	0.2918
Giardia lamblia	Beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0142	0.2049	0.2049
Leishmania major	beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0164	0.2978	0.2978
Entamoeba histolytica	tubulin family protein	0.0332	1	1
Schistosoma mansoni	alpha tubulin	0.0213	0.5027	0.2918
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.5027	0.5027
Leishmania major	beta tubulin	0.0332	1	1
Echinococcus multilocularis	tubulin subunit beta	0.0332	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0213	0.5027	0.5027
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Loa Loa (eye worm)	alpha-tubulin	0.0213	0.5027	0.4383
Echinococcus multilocularis	beta tubulin	0.0332	1	1
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Echinococcus multilocularis	Tubulin beta 2C chain	0.0332	1	1
Trypanosoma brucei	beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0213	0.5027	0.5027
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.5027	0.2918
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.5027	0.5027
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0142	0.2049	0.102
Trypanosoma brucei	tubulin gamma chain	0.0164	0.2978	0.2978
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Plasmodium vivax	tubulin alpha chain, putative	0.0213	0.5027	0.2918
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Leishmania major	beta tubulin	0.0332	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.5027	0.2918
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0213	0.5027	0.4383
Toxoplasma gondii	alpha-tubulin I, putative	0.0213	0.5027	0.2918
Brugia malayi	Tubulin alpha chain	0.0213	0.5027	0.5027
Echinococcus multilocularis	tubulin alpha 3 chain	0.0213	0.5027	0.2918
Schistosoma mansoni	alpha tubulin	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin alpha chain	0.0213	0.5027	0.2918
Echinococcus granulosus	Tubulin alpha 1 chain	0.0213	0.5027	0.2918
Echinococcus granulosus	beta tubulin	0.0332	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0213	0.5027	0.5027
Giardia lamblia	Beta tubulin	0.0332	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0332	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0332	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0332	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0213	0.5027	0.2918
Echinococcus granulosus	Tubulin beta 2C chain	0.0332	1	1
Schistosoma mansoni	tubulin subunit beta	0.0332	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0213	0.5027	0.2918
Giardia lamblia	Alpha-tubulin	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin alpha chain	0.0213	0.5027	0.2918
Loa Loa (eye worm)	alpha-tubulin	0.0213	0.5027	0.4383
Echinococcus granulosus	tubulin beta 1 chain	0.0332	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0213	0.5027	0.2918
Leishmania major	alpha tubulin	0.0213	0.5027	0.2918
Echinococcus granulosus	tubulin subunit TubB	0.0213	0.5027	0.2918

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	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	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	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	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	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	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	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

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: CHEMBL1978391

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 1613006