TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 419.272 | Formula: C18H19BrN4O3
H donors: 2 H acceptors: 3 LogP: 1.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(c1ccncc1)N1CCOCC1)N/N=C/c1cc(Br)ccc1O
InChi: 1S/C18H19BrN4O3/c19-15-1-2-16(24)14(11-15)12-21-22-18(25)17(13-3-5-20-6-4-13)23-7-9-26-10-8-23/h1-6,11-12,17,24H,7-10H2,(H,22,25)/b21-12+
InChiKey: WCSXSFXABUGTAD-CIAFOILYSA-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
Homo sapiens	nuclear receptor coactivator 3	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	nuclear receptor coactivator 1	Starlite/ChEMBL	No references
Herpes simplex virus (type 1 / strain 17)	Alpha trans-inducing protein (VP16)	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Plasmodium falciparum 3D7	M1-family aminopeptidase	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Cryptosporidium parvum	zincin/aminopeptidase N like metalloprotease	Get druggable targets OG5_130542	All targets in OG5_130542
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Plasmodium falciparum	M1-family alanyl aminopeptidase	Get druggable targets OG5_130542	All targets in OG5_130542
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	Get druggable targets OG5_130542	All targets in OG5_130542
Toxoplasma gondii	aminopeptidase N, putative	Get druggable targets OG5_130542	All targets in OG5_130542
Neospora caninum	Aminopeptidase N (EC 3.4.11.2), related	Get druggable targets OG5_130542	All targets in OG5_130542
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	aminopeptidase n, putative	Get druggable targets OG5_130542	All targets in OG5_130542
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Theileria parva	alpha-aminoacylpeptide hydrolase, putative	Get druggable targets OG5_130542	All targets in OG5_130542
Plasmodium yoelii	m1-family aminopeptidase	Get druggable targets OG5_130542	All targets in OG5_130542
Plasmodium berghei	M1-family alanyl aminopeptidase, putative	Get druggable targets OG5_130542	All targets in OG5_130542
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
Toxoplasma gondii	aminopeptidase N protein	Get druggable targets OG5_130542	All targets in OG5_130542
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Cryptosporidium hominis	aminopeptidase N	Get druggable targets OG5_130542	All targets in OG5_130542
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Babesia bovis	aminopeptidase, putative	Get druggable targets OG5_130542	All targets in OG5_130542
Neospora caninum	hypothetical protein	Get druggable targets OG5_130542	All targets in OG5_130542
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Plasmodium knowlesi	M1-family alanyl aminopeptidase, putative	Get druggable targets OG5_130542	All targets in OG5_130542

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0335	0.0335
Brugia malayi	hypothetical protein	0.0045	0.0238	0.0238
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0381	0.0381
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1098	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1159	0.1159
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.0133	0.1059	0.1059
Brugia malayi	Isocitrate dehydrogenase	0.1098	1	1
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0133	0.1059	0.1059
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.1098	1	1
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.0133	0.1059	0.1057
Schistosoma mansoni	hypothetical protein	0.0041	0.0204	0.0204
Brugia malayi	hypothetical protein	0.0044	0.0235	0.0235
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0335	0.0335
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0045	0.0238	0.0238
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.0133	0.1059	0.5
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1194	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0335	0.0332
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0133	0.1059	0.1059
Loa Loa (eye worm)	isocitrate dehydrogenase	0.1098	1	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0019	0.0003	0.0003
Onchocerca volvulus		0.0064	0.0412	0.1819
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.1098	1	1
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0133	0.1059	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0412	0.0412
Brugia malayi	Probable isocitrate dehydrogenase	0.0133	0.1059	0.1059
Schistosoma mansoni	isocitrate dehydrogenase	0.0133	0.1059	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0235	0.0235
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.0133	0.1059	0.1057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0335	0.0335
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.0133	0.1059	0.1057
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1159	0.1159
Echinococcus granulosus	geminin	0.0205	0.1719	0.1717
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0044	0.0235	0.0235
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.1098	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0235	0.0235
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0133	0.1059	0.1059
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0335	0.0332
Leishmania major	isocitrate dehydrogenase, putative	0.0133	0.1059	0.1059
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1098	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0381	0.0381
Echinococcus multilocularis	isocitrate dehydrogenase	0.1098	1	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1098	1	0.5
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0019	0	0.5
Schistosoma mansoni	unc-13 (munc13)	0.0133	0.1059	0.1059
Toxoplasma gondii	isocitrate dehydrogenase	0.1098	1	1
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0045	0.0238	0.0238
Brugia malayi	hypothetical protein	0.0064	0.0412	0.0412
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0133	0.1059	0.1059
Echinococcus multilocularis	geminin	0.0205	0.1719	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1194	0.1194
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0064	0.0415	0.0412
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0045	0.0238	0.0238
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.1098	1	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1719	0.1719
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.1098	1	1
Brugia malayi	hypothetical protein	0.0148	0.1194	0.1194
Loa Loa (eye worm)	hypothetical protein	0.006	0.0381	0.0381
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0133	0.1059	0.5
Echinococcus granulosus	aryl hydrocarbon receptor	0.0064	0.0415	0.0412
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0335	0.0332
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0335	0.0335
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1098	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1098	1	1
Schistosoma mansoni	aryl hydrocarbon receptor nuclear translocator homolog (darnt)	0.0045	0.0238	0.0238
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0335	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0205	0.1719	0.1719
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.0133	0.1059	0.1057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.1098	1	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.1098	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0381	0.0381
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0064	0.0415	0.0415
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0204	0.0204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0235	0.0235
Brugia malayi	MH2 domain containing protein	0.0144	0.1159	0.1159
Mycobacterium leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.0133	0.1059	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.1098	1	1
Brugia malayi	Probable isocitrate dehydrogenase	0.0133	0.1059	0.1059
Mycobacterium ulcerans	3-isopropylmalate dehydrogenase	0.0133	0.1059	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1059	0.1059
Toxoplasma gondii	isocitrate dehydrogenase	0.1098	1	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1098	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1194	0.1194
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1194	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 3.986 uM	PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	> 11.958 uM	PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3). (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	> 11.958 uM	PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1). (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (binding)	= 12.04 um	PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP). Inhibition of the rate of hydrolysis of fluorogenic peptide substrate (H-Leu-NHMec). Secondary screen (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	12.487 uM	PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399]	ChEMBL.	No reference
Potency (functional)	0.8913 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)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 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)	14.7157 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)	= 15.8489 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	18.3564 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)	18.526 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)	20.5962 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	44.6684 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
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 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
Homo sapiens	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: CHEMBL1987516

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1605320