TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 346.335 | Formula: C17H18N2O6
H donors: 1 H acceptors: 4 LogP: 1.85 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CO/C(=C/1\C(=NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C)C)/O
InChi: 1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,20H,1-4H3/b16-13+
InChiKey: OVZTYDSBCJWESI-DTQAZKPQSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0313	0.1097	0.1025
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0663	0.2719	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Brugia malayi	ecdysteroid receptor	0.0663	0.2719	0.266
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.035	0.1271	0.12
Loa Loa (eye worm)	hypothetical protein	0.035	0.1271	0.1271
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0663	0.2719	0.266
Brugia malayi	nuclear receptor NHR-67	0.0313	0.1097	0.1025
Echinococcus multilocularis	nicalin	0.0168	0.0427	0.0349
Brugia malayi	hypothetical protein	0.0457	0.1765	0.1699
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0663	0.2719	0.266
Schistosoma mansoni	hypothetical protein	0.0205	0.0597	0.0521
Loa Loa (eye worm)	nuclear hormone receptor	0.0313	0.1097	0.1097
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.035	0.1271	0.12
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0313	0.1097	0.1025
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0663	0.2719	0.266
Toxoplasma gondii	hypothetical protein	0.0328	0.117	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0663	0.2719	0.266
Brugia malayi	hypothetical protein	0.0328	0.117	0.1098
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0313	0.1097	0.1025
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0663	0.2719	0.266
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0663	0.2719	0.2719
Brugia malayi	nuclear hormone receptor family member odr-7	0.0313	0.1097	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0663	0.2719	0.266
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0663	0.2719	0.266
Echinococcus granulosus	presenilin	0.0937	0.399	0.3942
Brugia malayi	gamma-secretase subunit pen-2	0.0879	0.3724	0.3673
Brugia malayi	Nuclear hormone receptor E75	0.0313	0.1097	0.1025
Echinococcus granulosus	nuclear receptor nhr 48	0.0313	0.1097	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0093	0.008	0.008
Echinococcus multilocularis	Nicastrin	0.0457	0.1765	0.1699
Loa Loa (eye worm)	hypothetical protein	0.035	0.1271	0.1271
Brugia malayi	hypothetical protein	0.0328	0.117	0.1098
Echinococcus multilocularis	presenilin enhancer 2	0.0879	0.3724	0.3673
Schistosoma mansoni	nuclear receptor	0.0313	0.1097	0.1025
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0937	0.399	0.3942
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0663	0.2719	0.266
Schistosoma mansoni	nuclear hormone receptor	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Schistosoma mansoni	zinc finger protein	0.0313	0.1097	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Brugia malayi	Nuclear hormone receptor-like 1	0.035	0.1271	0.12
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0663	0.2719	0.2719
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.035	0.1271	0.1271
Brugia malayi	nuclear receptor RXR	0.035	0.1271	0.12
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0663	0.2719	0.266
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0937	0.399	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0313	0.1097	0.1025
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0937	0.399	1
Loa Loa (eye worm)	DR-78	0.0313	0.1097	0.1097
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0663	0.2719	0.266
Brugia malayi	nuclear receptor NHR-88	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.035	0.1271	0.1271
Schistosoma mansoni	nuclear receptor nhr-48	0.0313	0.1097	0.1025
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0313	0.1097	0.1025
Echinococcus multilocularis	ecdysone induced protein 78C	0.0663	0.2719	0.266
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0937	0.399	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0663	0.2719	0.266
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Loa Loa (eye worm)	steroid hormone receptor	0.0663	0.2719	0.2719
Schistosoma mansoni	thyroid hormone receptor	0.0663	0.2719	0.266
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0663	0.2719	0.266
Brugia malayi	Steroid receptor seven-up type 2	0.0663	0.2719	0.266
Brugia malayi	hypothetical protein	0.035	0.1271	0.12
Schistosoma mansoni	nuclear hormone receptor	0.0313	0.1097	0.1025
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0313	0.1097	0.1025
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0879	0.3724	0.3724
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0313	0.1097	0.1025
Brugia malayi	hypothetical protein	0.0313	0.1097	0.1025
Brugia malayi	nuclear receptor RXR	0.0313	0.1097	0.1025
Schistosoma mansoni	nuclear receptor	0.0313	0.1097	0.1025
Brugia malayi	photoreceptor-specific nuclear receptor	0.0663	0.2719	0.266
Trypanosoma cruzi	Aph-1 protein, putative	0.0871	0.3683	0.9136
Schistosoma mansoni	hypothetical protein	0.0205	0.0597	0.0521
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0663	0.2719	0.266
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0937	0.399	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0313	0.1097	0.1025
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0663	0.2719	0.266
Brugia malayi	hypothetical protein	0.035	0.1271	0.12
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0313	0.1097	0.1097
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.2234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Echinococcus multilocularis	gamma secretase subunit aph 1	0.2234	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0313	0.1097	0.1025
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0663	0.2719	0.266
Schistosoma mansoni	gamma-secretase subunit aph-1	0.2234	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0663	0.2719	0.266
Loa Loa (eye worm)	presenilin spe-4	0.0328	0.117	0.117
Echinococcus granulosus	presenilin enhancer 2	0.0879	0.3724	0.3673
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0663	0.2719	0.2719
Brugia malayi	Nuclear hormone receptor-like 1	0.035	0.1271	0.12
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Brugia malayi	Presenilin-like protein At2g29900	0.0328	0.117	0.1098
Loa Loa (eye worm)	hypothetical protein	0.035	0.1271	0.1271
Brugia malayi	hypothetical protein	0.0313	0.1097	0.1025
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0663	0.2719	0.266
Onchocerca volvulus	Protein ultraspiracle homolog	0.0663	0.2719	1
Onchocerca volvulus		0.0663	0.2719	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Schistosoma mansoni	hypothetical protein	0.0457	0.1765	0.1699
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0663	0.2719	0.266
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0313	0.1097	0.1097
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0131	0.0254	0.0175
Brugia malayi	steroid hormone receptor	0.0663	0.2719	0.266
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0937	0.399	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0313	0.1097	0.1025
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0313	0.1097	0.1025
Echinococcus granulosus	gamma secretase subunit aph 1	0.2234	1	1
Brugia malayi	tailless protein	0.0313	0.1097	0.1025
Schistosoma mansoni	coup transcription factor	0.0663	0.2719	0.266
Schistosoma mansoni	nuclear hormone receptor	0.0313	0.1097	0.1025
Schistosoma mansoni	RAR-like nuclear receptor	0.0663	0.2719	0.266
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0313	0.1097	0.1025
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.0265	0.0875	0.1259
Brugia malayi	Presenilin family protein	0.0937	0.399	0.3942
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0663	0.2719	0.266
Echinococcus multilocularis	FTZ F1 alpha	0.0663	0.2719	0.266
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0937	0.399	1
Echinococcus granulosus	Nicastrin	0.0457	0.1765	0.1699
Brugia malayi	Presenilin spe-4	0.0328	0.117	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0313	0.1097	0.1025
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0663	0.2719	0.266
Echinococcus multilocularis	geminin	0.0205	0.0597	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0956	0.0956
Loa Loa (eye worm)	calcium channel	0.0093	0.008	0.008
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0663	0.2719	0.266
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0937	0.399	1
Echinococcus multilocularis	Nicastrin	0.0457	0.1765	0.1699
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0663	0.2719	0.266
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0663	0.2719	0.266
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0358	0.1308	0.1238
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0663	0.2719	0.2719
Echinococcus granulosus	nicalin	0.0168	0.0427	0.0349
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0663	0.2719	0.266
Schistosoma mansoni	retinoic acid receptor RXR	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Echinococcus granulosus	FTZ F1 alpha	0.0663	0.2719	0.266
Trypanosoma brucei	Aph-1 protein, putative	0.0871	0.3683	0.9136
Loa Loa (eye worm)	hypothetical protein	0.035	0.1271	0.1271
Brugia malayi	Presenilin spe-4	0.0328	0.117	0.1098
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0313	0.1097	0.1025
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0457	0.1765	0.1765
Echinococcus multilocularis	presenilin	0.0937	0.399	0.3942
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0663	0.2719	0.266
Brugia malayi	nuclear hormone receptor	0.0663	0.2719	0.266
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0663	0.2719	0.266
Trypanosoma cruzi	Aph-1 protein, putative	0.0871	0.3683	0.9136
Brugia malayi	Presenilin spe-4	0.0328	0.117	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0663	0.2719	0.266
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0663	0.2719	0.2719
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0313	0.1097	0.1025
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.035	0.1271	0.12
Brugia malayi	ecdysone receptor	0.0313	0.1097	0.1025
Brugia malayi	nuclear receptor NHR-88	0.0313	0.1097	0.1025
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0663	0.2719	0.2719
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0663	0.2719	0.266
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.0936	0.5
Brugia malayi	hypothetical protein	0.0328	0.117	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0663	0.2719	0.266
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0313	0.1097	0.1025
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0663	0.2719	0.266
Brugia malayi	hypothetical protein	0.0457	0.1765	0.1699
Schistosoma mansoni	thyroid hormone receptor	0.0663	0.2719	0.266
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0937	0.399	1
Echinococcus granulosus	geminin	0.0205	0.0597	0.0521
Echinococcus granulosus	thyroid hormone receptor alpha	0.0313	0.1097	0.1025
Echinococcus granulosus	ecdysone induced protein 78C	0.0663	0.2719	0.266
Loa Loa (eye worm)	hypothetical protein	0.0313	0.1097	0.1097
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0663	0.2719	0.266
Onchocerca volvulus	Bile acid receptor homolog	0.0663	0.2719	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.035	0.1271	0.12
Loa Loa (eye worm)	hypothetical protein	0.0663	0.2719	0.2719
Brugia malayi	conserved hypotetical protein	0.0313	0.1097	0.1025
Brugia malayi	nuclear hormone receptor	0.0313	0.1097	0.1025
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0663	0.2719	0.2719

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.6513 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	33.5875 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	95.2834 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1505205

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1342858