TDR Targets

Basic information

Technical information

TDR Targets ID: 891411
Name: N-(2,3-dihydroinden-1-ylideneamino)pyridine-4 -carboxamide
MW: 251.283 | Formula: C15H13N3O
H donors: 1 H acceptors: 2 LogP: 2.04 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccncc1)N/N=C/1\CCc2c1cccc2
InChi: 1S/C15H13N3O/c19-15(12-7-9-16-10-8-12)18-17-14-6-5-11-3-1-2-4-13(11)14/h1-4,7-10H,5-6H2,(H,18,19)/b17-14+
InChiKey: MZUWVZXEXPMKCO-SAPNQHFASA-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

N-(indan-1-ylideneamino)pyridine-4-carboxamide
N-(1-indanylideneamino)-4-pyridinecarboxamide
N-(indan-1-ylideneamino)isonicotinamide
5251-31-0
BIM-0015458.P001
CBMicro_015602
MLS000700591
N'-(2,3-dihydro-1H-inden-1-ylidene)isonicotinohydrazide
SMR000225506

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cdc2-related kinase 3	0.0174	0.5099	0.3233
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0239	0.7962	0.7962
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0174	0.5099	0.5614
Trichomonas vaginalis	cyclin B, putative	0.0239	0.7962	1
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Brugia malayi	TAR-binding protein	0.0076	0.0804	0.0803
Brugia malayi	serine/threonine-protein kinase 6	0.0227	0.7414	0.7414
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0804	0.0627
Echinococcus granulosus	cyclin b3	0.0141	0.3631	0.3074
Entamoeba histolytica	cell division protein kinase 2, putative	0.0174	0.5099	0.4592
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0174	0.5099	0.4671
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0141	0.3631	0.3631
Echinococcus granulosus	cyclin B	0.0239	0.7962	0.7784
Entamoeba histolytica	cyclin family protein	0.0141	0.3631	0.1818
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0141	0.3631	0.3074
Echinococcus granulosus	dihydrofolate reductase	0.0143	0.3732	0.3184
Schistosoma mansoni	dihydrofolate reductase	0.0143	0.3732	0.4687
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0174	0.5099	0.5006
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0804	0.0627
Schistosoma mansoni	hypothetical protein	0.0205	0.644	0.8088
Schistosoma mansoni	cyclin B3	0.0141	0.3631	0.456
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0804	0.0627
Echinococcus multilocularis	cyclin B	0.0239	0.7962	0.7962
Trichomonas vaginalis	cyclin A, putative	0.0239	0.7962	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0804	0.0804
Brugia malayi	serine/threonine protein kinase 6	0.0227	0.7414	0.7414
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Echinococcus granulosus	aurora kinase A	0.0227	0.7414	0.7188
Trichomonas vaginalis	cyclins, putative	0.0141	0.3631	0.078
Trypanosoma cruzi	cyclin 6, putative	0.0239	0.7962	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0141	0.3631	0.363
Schistosoma mansoni	serine/threonine protein kinase	0.0174	0.5099	0.6404
Trichomonas vaginalis	cyclin B, putative	0.0239	0.7962	1
Trichomonas vaginalis	CMGC family protein kinase	0.0174	0.5099	0.3907
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0143	0.3732	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.7414	0.8833
Brugia malayi	Protein kinase domain containing protein	0.0174	0.5099	0.5099
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0227	0.7414	0.7414
Trypanosoma cruzi	cdc2-related kinase 3	0.0174	0.5099	0.3233
Echinococcus granulosus	cyclin dependent kinase 1	0.0174	0.5099	0.4671
Loa Loa (eye worm)	hypothetical protein	0.0098	0.177	0.1612
Onchocerca volvulus		0.0239	0.7962	1
Trichomonas vaginalis	cyclin D, putative	0.0141	0.3631	0.078
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0227	0.7414	1
Giardia lamblia	Aurora kinase	0.0227	0.7414	0.8734
Trichomonas vaginalis	cyclin B, putative	0.0239	0.7962	1
Echinococcus granulosus	expressed conserved protein	0.0112	0.2351	0.1683
Echinococcus granulosus	cyclins	0.0141	0.3631	0.3074
Loa Loa (eye worm)	AUR protein kinase	0.0227	0.7414	0.7364
Trypanosoma cruzi	cyclin, putative	0.0239	0.7962	1
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.7414	0.8833
Schistosoma mansoni	hypothetical protein	0.0205	0.644	0.8088
Trichomonas vaginalis	cyclin D, putative	0.0141	0.3631	0.078
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Chlamydia trachomatis	dihydrofolate reductase	0.0143	0.3732	0.5
Loa Loa (eye worm)	hypothetical protein	0.0239	0.7962	0.7923
Loa Loa (eye worm)	AUR protein kinase	0.0227	0.7414	0.7364
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0804	0.0803
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0804	0.1008
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.4913	0.4468
Loa Loa (eye worm)	hypothetical protein	0.0239	0.7962	0.7923
Echinococcus granulosus	cyclin B3 1	0.0141	0.3631	0.3074
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.9658	1
Leishmania major	protein kinase, putative	0.0227	0.7414	0.8704
Trichomonas vaginalis	CMGC family protein kinase	0.0174	0.5099	0.3907
Schistosoma mansoni	serine/threonine protein kinase	0.0227	0.7414	0.9311
Echinococcus granulosus	cyclin dependent kinase 5	0.0174	0.5099	0.4671
Entamoeba histolytica	cyclin family protein	0.0141	0.3631	0.1818
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0227	0.7414	0.8964
Trichomonas vaginalis	cyclins, putative	0.0239	0.7962	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0143	0.3732	0.3023
Giardia lamblia	Kinase, CMGC CDK	0.0174	0.5099	0.3391
Trichomonas vaginalis	CMGC family protein kinase	0.0174	0.5099	0.3907
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Echinococcus multilocularis	dihydrofolate reductase	0.0143	0.3732	0.3732
Echinococcus multilocularis	cyclin dependent kinase 1	0.0174	0.5099	0.5099
Brugia malayi	dihydrofolate reductase family protein	0.0143	0.3732	0.3732
Trichomonas vaginalis	cyclins, putative	0.0239	0.7962	1
Loa Loa (eye worm)	AUR protein kinase	0.0227	0.7414	0.7364
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0174	0.5099	0.3233
Trypanosoma cruzi	cyclin, putative	0.0239	0.7962	1
Echinococcus multilocularis	expressed conserved protein	0.0112	0.2351	0.2351
Echinococcus granulosus	cyclins	0.0141	0.3631	0.3074
Loa Loa (eye worm)	cyclin domain-containing protein	0.0141	0.3631	0.3509
Entamoeba histolytica	cell division protein kinase 2, putative	0.0174	0.5099	0.4592
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.7414	0.8833
Loa Loa (eye worm)	hypothetical protein	0.0169	0.4885	0.4787
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0174	0.5099	0.5006
Echinococcus granulosus	cyclins	0.0141	0.3631	0.3074
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0239	0.7962	0.7962
Leishmania major	cyclin	0.0239	0.7962	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0174	0.5099	0.3233
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0227	0.7414	1
Entamoeba histolytica	protein kinase , putative	0.0227	0.7414	0.8964
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0227	0.7414	0.8964
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0227	0.7414	0.8964
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.4913	0.4913
Echinococcus multilocularis	cyclin dependent kinase 1	0.0174	0.5099	0.5099
Trypanosoma brucei	cdc2-related kinase 1	0.0174	0.5099	0.3233
Brugia malayi	RNA binding protein	0.0076	0.0804	0.0803
Entamoeba histolytica	cyclin, putative	0.0141	0.3631	0.1818
Giardia lamblia	Kinase, CMGC CDK	0.0174	0.5099	0.3391
Loa Loa (eye worm)	dihydrofolate reductase	0.0143	0.3732	0.3612
Echinococcus multilocularis	geminin	0.0205	0.644	0.644
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0804	0.1008
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0174	0.5099	0.3233
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0804	0.1008
Toxoplasma gondii	aurora kinase	0.0227	0.7414	1
Trichomonas vaginalis	cyclin B, putative	0.0239	0.7962	1
Echinococcus multilocularis	cyclin B3 1	0.0141	0.3631	0.3631
Trichomonas vaginalis	cyclin B, putative	0.0141	0.3631	0.078
Echinococcus granulosus	cyclins	0.0141	0.3631	0.3074
Schistosoma mansoni	protein kinase	0.0227	0.7414	0.9311
Entamoeba histolytica	protein kinase, putative	0.0227	0.7414	0.8964
Echinococcus multilocularis	cyclin b3	0.0141	0.3631	0.3631
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0174	0.5099	0.5006
Echinococcus multilocularis	aurora kinase A	0.0227	0.7414	0.7414
Echinococcus multilocularis	cyclin dependent kinase	0.0174	0.5099	0.5099
Brugia malayi	Dihydrofolate reductase	0.0143	0.3732	0.3732
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.7414	0.8833
Plasmodium falciparum	protein kinase 5	0.0174	0.5099	0.3882
Trichomonas vaginalis	cyclins, putative	0.0239	0.7962	1
Brugia malayi	serine/threonine kinase 12	0.0227	0.7414	0.7414
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0239	0.7962	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0174	0.5099	0.5099
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Plasmodium vivax	protein kinase Crk2	0.0174	0.5099	0.3714
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.2749	0.3453
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Schistosoma mansoni	cyclin B	0.0239	0.7962	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.2668	0.2668
Giardia lamblia	G2/mitotic-specific cyclin B	0.0239	0.7962	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0143	0.3732	0.5
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Trypanosoma brucei	mitotic cyclin 6	0.0239	0.7962	1
Trypanosoma brucei	cdc2-related kinase 3	0.0174	0.5099	0.3233
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.2668	0.2668
Entamoeba histolytica	protein kinase, putative	0.0227	0.7414	0.8964
Trichomonas vaginalis	cyclin B3, putative	0.0141	0.3631	0.078
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0227	0.7414	0.7188
Trichomonas vaginalis	cyclins, putative	0.0239	0.7962	1
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.3631	0.078
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Echinococcus granulosus	cyclins	0.0141	0.3631	0.3074
Echinococcus multilocularis	cyclins	0.0141	0.3631	0.3631
Entamoeba histolytica	cyclin, putative	0.0239	0.7962	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0804	0.1008
Schistosoma mansoni	serine/threonine protein kinase	0.0174	0.5099	0.6404
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.2668	0.2028
Loa Loa (eye worm)	hypothetical protein	0.0119	0.2668	0.2528
Schistosoma mansoni	cyclins	0.0141	0.3631	0.456
Echinococcus granulosus	geminin	0.0205	0.644	0.6129
Entamoeba histolytica	protein kinase domain containing protein	0.0227	0.7414	0.8964
Trypanosoma cruzi	cdc2-related kinase 1	0.0174	0.5099	0.3233
Trypanosoma brucei	aurora B kinase	0.0227	0.7414	0.8704
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0804	0.1008
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0239	0.7962	1
Brugia malayi	cell division control protein 2 homolog	0.0174	0.5099	0.5099
Trypanosoma cruzi	aurora B kinase, putative	0.0227	0.7414	0.8704
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0143	0.3732	0.0268
Echinococcus granulosus	cyclin dependent kinase	0.0174	0.5099	0.4671

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 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)	0.5623 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.1995 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)	9.2 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10.4179 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	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: CHEMBL3191175
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 891411