TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 441.009 | Formula: C25H33ClN4O
H donors: 1 H acceptors: 2 LogP: 5.54 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2n(c1)c(CNCC[C@@H]1C[C@H]3C[C@@H]1C=C3)c(n2)C(=O)N1CCCCCCC1
InChi: 1S/C25H33ClN4O/c26-21-8-9-23-28-24(25(31)29-12-4-2-1-3-5-13-29)22(30(23)17-21)16-27-11-10-20-15-18-6-7-19(20)14-18/h6-9,17-20,27H,1-5,10-16H2/t18-,19+,20-/m1/s1
InChiKey: AMLGHOZZKQRBSX-HSALFYBXSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	ferritin	0.001	0.0043	0.0033
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0317	0.5615	0.8478
Schistosoma mansoni	ferritin	0.001	0.0043	0.0033
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0317	0.5615	0.5609
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0052	0.0038
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0036	0.0022
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1193	0.1338
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0052	0.003
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.6482	1
Treponema pallidum	ATP-dependent RNA helicase	0.0317	0.5615	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0951	0.164
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0052	0.0038
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1189	0.1333
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0203	0.03
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1189	0.3469
Schistosoma mansoni	hypothetical protein	0.0019	0.0203	0.0215
Schistosoma mansoni	hypothetical protein	0.0019	0.0203	0.0215
Mycobacterium ulcerans	hypothetical protein	0.0192	0.3346	1
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.6482	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0317	0.5615	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1051	0.0267
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0203	0.019
Leishmania major	eukaryotic initiation factor 4a, putative	0.0317	0.5615	0.8363
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.8829	0.8827
Echinococcus multilocularis	neuropeptide s receptor	0.0558	1	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0203	0.019
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1189	0.1333
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1189	0.3469
Echinococcus granulosus	ferritin	0.001	0.0043	0.003
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0203	0.019
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2992	0.3871
Schistosoma mansoni	hypothetical protein	0.0494	0.8829	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0203	0.03
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.0043	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0036	0.0025
Brugia malayi	MH2 domain containing protein	0.0144	0.2476	0.4373
Schistosoma mansoni	smad1 5 8 and	0.001	0.0036	0.0025
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.6482	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2992	0.3407
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0317	0.5615	0.5
Schistosoma mansoni	smad	0.001	0.0036	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0605	0.102
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0203	0.019
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0992	0.0358
Loa Loa (eye worm)	hypothetical protein	0.006	0.0951	0.164
Schistosoma mansoni	hypothetical protein	0.0041	0.0605	0.067
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0317	0.5615	1
Schistosoma mansoni	ferritin light chain	0.001	0.0043	0.0033
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0317	0.5615	1
Echinococcus granulosus	smad	0.001	0.0036	0.0022
Echinococcus granulosus	Smad4	0.001	0.0036	0.0022
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1189	0.0562
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0317	0.5615	1
Schistosoma mansoni	ferritin	0.001	0.0043	0.0033
Trichomonas vaginalis	ferritin, putative	0.001	0.0043	0.0077
Schistosoma mansoni	ferritin light chain	0.001	0.0043	0.0033
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0487	0.0809
Leishmania major	eukaryotic initiation factor 4a, putative	0.0317	0.5615	0.8363
Schistosoma mansoni	smad1 5 8 and	0.001	0.0036	0.0025
Brugia malayi	eukaryotic initiation factor 4A	0.0317	0.5615	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2476	0.4373
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0203	0.03
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0317	0.5615	0.8478
Schistosoma mansoni	hypothetical protein	0.0019	0.0203	0.0215
Schistosoma mansoni	hypothetical protein	0.0019	0.0203	0.0215
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.3346	0.5928
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1189	0.2056
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0317	0.5615	0.6354
Plasmodium vivax	RNA helicase-1, putative	0.0317	0.5615	0.5
Echinococcus multilocularis	expressed protein	0.001	0.0043	0.003
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0605	0.102
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0487	0.0809
Echinococcus granulosus	neuropeptide receptor A26	0.0558	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0317	0.5615	1
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0317	0.5615	0.5609
Echinococcus granulosus	cpg binding protein	0.0037	0.0523	0.051
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0317	0.5615	0.5609
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0.0043	0.5
Echinococcus granulosus	GPCR family 2	0.0019	0.0203	0.019
Echinococcus multilocularis	ferritin	0.001	0.0043	0.003
Schistosoma mansoni	apoferritin-2	0.001	0.0043	0.0033
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.8829	0.8827
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0317	0.5615	0.5609
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0203	0.019
Schistosoma mansoni	Smad4	0.001	0.0036	0.0025
Schistosoma mansoni	cpg binding protein	0.0035	0.0487	0.0537
Schistosoma mansoni	ferritin	0.001	0.0043	0.0033
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2476	0.4373
Echinococcus multilocularis	Smad4	0.001	0.0036	0.0022
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.2992	0.3871
Schistosoma mansoni	apoferritin-2	0.001	0.0043	0.0033
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0317	0.5615	1
Schistosoma mansoni	cpg binding protein	0.0037	0.0523	0.0578
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0317	0.5615	0.8478
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0317	0.5615	0.5
Echinococcus granulosus	expressed protein	0.001	0.0043	0.003
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1189	0.1177
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.005	0.0025
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0951	0.164
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0036	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0317	0.5615	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.6482	1
Schistosoma mansoni	smad1 5 8 and	0.001	0.0036	0.0025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1189	0.3469
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0036	0.0022
Echinococcus multilocularis	smad	0.001	0.0036	0.0022
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1189	0.1177
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0951	0.164
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0317	0.5615	0.6354
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0317	0.5615	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0203	0.03
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0036	0.0022
Echinococcus multilocularis	cpg binding protein	0.0037	0.0523	0.051
Schistosoma mansoni	cpg binding protein	0.0037	0.0523	0.0578

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (binding)	= 12.5893 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)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 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)	19.9526 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)	23.0999 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)	23.1093 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1545964

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 1414762