TDR Targets

Basic information

Technical information

TDR Targets ID: 30146
Name: dimethyl (4-nitrophenyl) phosphate
MW: 247.142 | Formula: C8H10NO6P
H donors: 0 H acceptors: 3 LogP: 1.16 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OC
InChi: 1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChiKey: BAFQDKPJKOLXFZ-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

phosphoric acid dimethyl (4-nitrophenyl) ester
methylparaoxon
950-35-6
46192_RIEDEL
BAY 11678
BRN 1884904
Desmethylnitrophos
Dimethyl paraoxon
Dimethyl-4-nitrophenyl phosphate
Dimethyl-p-nitrofenylester kyseliny fosforecne [Czech]
Dimethyl-p-nitrophenyl phosphate
METHYL PARAOXON
Methyl-E-600
O,O-Dimetyl-O-p-nitrofenylfosfat [Czech]
Paraoxon-methyl
Phosphoric acid, dimethyl p-nitrophenyl ester
Phosphoric acid, dimethyl-4-nitrophenyl ester (9CI)
O,O-Dimethyl O-(4-nitrophenyl) phosphate
Phosphoric acid, dimethyl 4-nitrophenyl ester
NCGC00163905-01
Dimethyl-p-nitrophenylphosphate
PS613_SUPELCO

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	No references
Homo sapiens	androgen receptor	Starlite/ChEMBL	No references
Homo sapiens	retinoid X receptor, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	Get druggable targets OG5_130073	All targets in OG5_130073
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	Get druggable targets OG5_130073	All targets in OG5_130073
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	retinoic acid receptor RXR	Get druggable targets OG5_130073	All targets in OG5_130073
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	retinoid X receptor, alpha	435 aa	352 aa	23.9 %
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0243	0.2027	0.0703
Echinococcus multilocularis	cathepsin L cysteine protease	0.0371	0.4802	0.4774
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0462	0.6783	1
Giardia lamblia	Cathepsin B precursor	0.0249	0.2161	0.0841
Entamoeba histolytica	cysteine proteinase, putative	0.0243	0.2027	0.1785
Onchocerca volvulus		0.0371	0.4802	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0371	0.4802	0.3938
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0462	0.6783	1
Plasmodium vivax	vivapain-2	0.0371	0.4802	0.6302
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Brugia malayi	Cathepsin L-like precursor	0.0371	0.4802	0.3938
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Leishmania major	cathepsin L-like protease	0.0371	0.4802	0.4403
Onchocerca volvulus		0.0371	0.4802	1
Brugia malayi	Cathepsin L-like precursor	0.0243	0.2027	0.0703
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0371	0.4802	0.348
Schistosoma mansoni	cathepsin F (C01 family)	0.0371	0.4802	0.4802
Onchocerca volvulus		0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0249	0.2161	0.2179
Brugia malayi	Cathepsin L-like precursor	0.0371	0.4802	0.3938
Echinococcus multilocularis	cysteine protease	0.0371	0.4802	0.4774
Leishmania major	cathepsin L-like protease	0.0371	0.4802	0.4403
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0462	0.6783	0.6783
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0371	0.4802	0.4774
Trypanosoma cruzi	cysteine peptidase, putative	0.0525	0.8159	0.7853
Brugia malayi	Cathepsin L-like precursor	0.0371	0.4802	0.3938
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0462	0.6783	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0243	0.2027	0.1785
Trypanosoma cruzi	major cysteine proteinase, putative	0.0242	0.2008	0.068
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.032	0.3697	0.6729
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Giardia lamblia	Cathepsin B precursor	0.0249	0.2161	0.0841
Leishmania major	cathepsin L-like protease	0.0525	0.8159	1
Echinococcus granulosus	cathepsin b	0.061	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Entamoeba histolytica	cysteine proteinase, putative	0.0371	0.4802	1
Schistosoma mansoni	thyroid hormone receptor	0.0183	0.0716	0.0716
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.061	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Loa Loa (eye worm)	hypothetical protein	0.061	1	1
Echinococcus granulosus	cathepsin L	0.0215	0.1425	0.1425
Echinococcus multilocularis	cathepsin b	0.061	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0215	0.1425	0.1425
Entamoeba histolytica	cysteine protease, putative	0.0371	0.4802	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Toxoplasma gondii	cathepsin B	0.0249	0.2161	0.0841
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Brugia malayi	Cathepsin L-like precursor	0.0243	0.2027	0.0703
Brugia malayi	Papain family cysteine protease containing protein	0.0371	0.4802	0.3938
Schistosoma mansoni	hypothetical protein	0.0152	0.0054	0.0054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Onchocerca volvulus	Cathepsin L homolog	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0243	0.2027	0.1785
Echinococcus multilocularis	cathepsin L cysteine protease	0.0371	0.4802	0.4774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0371	0.4802	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0371	0.4802	0.4802
Giardia lamblia	Cathepsin B precursor	0.0249	0.2161	0.0841
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.0054	0.0054
Echinococcus granulosus	cathepsin l1	0.0371	0.4802	0.4802
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0183	0.0716	0.0666
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0371	0.4802	0.4802
Onchocerca volvulus		0.0371	0.4802	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0397	0.5385	0.4618
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0249	0.2161	0.2161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Leishmania major	cathepsin L-like protease	0.0525	0.8159	1
Brugia malayi	Cathepsin L-like precursor	0.0371	0.4802	0.3938
Toxoplasma gondii	cathepsin CPL	0.0371	0.4802	0.6074
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0371	0.4802	0.4774
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Brugia malayi	cathepsin L-like precursor	0.0243	0.2027	0.0703
Loa Loa (eye worm)	cathepsin B	0.0249	0.2161	0.0167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Leishmania major	cathepsin L-like protease	0.0525	0.8159	1
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0229	0.1736	0.0581
Leishmania major	cathepsin L-like protease	0.0371	0.4802	0.4403
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0215	0.1425	0.1425
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0371	0.4802	0.4802
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0249	0.2161	0.1093
Trypanosoma cruzi	cysteine peptidase, putative	0.0525	0.8159	0.7853
Echinococcus granulosus	cathepsin l1	0.0243	0.2027	0.2027
Brugia malayi	Cathepsin L-like precursor	0.0371	0.4802	0.3938
Trypanosoma cruzi	cysteine peptidase, putative	0.0525	0.8159	0.7853
Schistosoma mansoni	cathepsin F (C01 family)	0.0243	0.2027	0.2027
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0371	0.4802	0.348
Trypanosoma cruzi	cruzipain precursor, putative	0.0525	0.8159	0.7853
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Echinococcus granulosus	cysteine protease	0.0215	0.1425	0.1425
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.061	1	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0462	0.6783	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0462	0.6783	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0371	0.4802	0.6302
Loa Loa (eye worm)	ctsf protein	0.0371	0.4802	0.348
Onchocerca volvulus		0.0371	0.4802	1
Plasmodium vivax	vivapain-2	0.0371	0.4802	0.6302
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0371	0.4802	1
Echinococcus multilocularis	cysteine protease	0.0371	0.4802	0.4774
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0371	0.4802	0.6302
Toxoplasma gondii	cathepsin CPC1	0.0462	0.6783	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Schistosoma mansoni	thyroid hormone receptor	0.0183	0.0716	0.0716
Loa Loa (eye worm)	cysteine protease	0.0371	0.4802	0.348
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0249	0.2161	0.0858
Echinococcus granulosus	cathepsin b	0.061	1	1
Onchocerca volvulus		0.0371	0.4802	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0229	0.1736	0.0581
Echinococcus multilocularis	cathepsin b	0.061	1	1
Echinococcus multilocularis	cathepsin L	0.0215	0.1425	0.1379
Leishmania major	cysteine peptidase A (CPA)	0.0371	0.4802	0.4403
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.061	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0371	0.4802	0.6302
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.061	1	1
Loa Loa (eye worm)	hypothetical protein	0.0371	0.4802	0.348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0215	0.1425	0.1425
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0525	0.8159	1
Loa Loa (eye worm)	fibroinase	0.0371	0.4802	0.348
Entamoeba histolytica	cysteine proteinase, putative	0.0371	0.4802	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0215	0.1425	0.1425
Onchocerca volvulus		0.0371	0.4802	1
Leishmania major	cathepsin L-like protease	0.0371	0.4802	0.4403
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Onchocerca volvulus	Cathepsin F homolog	0.0371	0.4802	1
Onchocerca volvulus	Cathepsin L homolog	0.0371	0.4802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1
Brugia malayi	Cathepsin L-like precursor	0.0371	0.4802	0.3938
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0462	0.6783	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0371	0.4802	1
Leishmania major	cathepsin L-like protease	0.0371	0.4802	0.4403
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.061	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0371	0.4802	1

Activities

Activity type	Activity value	Assay description	Source	Reference
k cat (binding)	= 1.4 s-1	Kinetic constant Kcat from initial velocity assay against Organophosphorus acid anhydrolase from Alteromonas sp. JD6.5	ChEMBL.	10866401
k cat (binding)	= 1.4 s-1	Kinetic constant Kcat from initial velocity assay against Organophosphorus acid anhydrolase from Alteromonas sp. JD6.5	ChEMBL.	10866401
k cat/Km (binding)	= 140 M-1 s-1	Ratio of kinetic constant Kcat to Km from initial velocity assay against OPAA from Alteromonas sp. JD6.5	ChEMBL.	10866401
k cat/Km (binding)	= 140 M-1 s-1	Ratio of kinetic constant Kcat to Km from initial velocity assay against OPAA from Alteromonas sp. JD6.5	ChEMBL.	10866401
Ki (binding)	= 1.3 /M/min	Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR2 adult or last-instar nymphs homogenates assessed as bimolecular rate constant pre-incubated with compound for 2 min at 25 degC before addition of ATC and DTNB solution	ChEMBL.	11052723
Ki (binding)	= 1.35 /M/min	Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs homogenates assessed as bimolecular rate constant pre-incubated with compound for 2 min at 25 degC before addition of ATC and DTNB solution	ChEMBL.	11052723
Ki (binding)	= 2.9 /M/min	Inhibition of AChE in organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs homogenates assessed as bimolecular rate constant pre-incubated with compound for 2 min at 25 degC before addition of ATC and DTNB solution	ChEMBL.	11052723
Km (binding)	= 9.5 mM	Kinetic constant Km from initial velocity assay against Organophosphorus acid anhydrolase from Alteromonas sp. JD6.5	ChEMBL.	10866401
Km (binding)	= 9.5 mM	Kinetic constant Km from initial velocity assay against Organophosphorus acid anhydrolase from Alteromonas sp. JD6.5	ChEMBL.	10866401
logP (ADMET)	= 1.27	Partition coefficient (logP)	ChEMBL.	6325692
Potency (functional)	0.0224 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.1259 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.8006 uM	PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	24.5412 uM	PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	34.3762 uM	PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of vitamin D receptor signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of glucocorticoid receptor signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS assay for small molecule activators of the p53 signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	54.4827 uM	PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	54.941 uM	PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Ratio (binding)	0	Ratio of kinetic constant Kcat to Km Sp and Kcat to Km Rp from initial velocity assay against OPAA from Alteromonas sp. JD6.5; No data	ChEMBL.	10866401
Ratio (binding)	0	Ratio of kinetic constant K1 to K2 from progress curves against OPAA from Alteromonas sp. JD6.5; No data	ChEMBL.	10866401

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

Search by CAS
ChEMBL: CHEMBL26115
PubChem: 13708

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 30146