TDR Targets

Basic information

Technical information

TDR Targets ID: 1439033
Name: N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-ox o-4,5-dihydropyridazin-1-yl]acetamide
MW: 303.356 | Formula: C16H21N3O3
H donors: 1 H acceptors: 2 LogP: 0.67 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCNC(=O)CN1N=C(CCC1=O)c1ccc(cc1)C
InChi: 1S/C16H21N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-6H,7-11H2,1-2H3,(H,17,20)
InChiKey: HJFFLXUXJDNRKO-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

2-[6-keto-3-(4-methylphenyl)-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide
N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethanamide
EU-0031180

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
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
Brugia malayi	TAR-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
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	tar DNA-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 japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	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
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

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)	0.0046	0.1597	0.2462
Leishmania major	hypothetical protein, conserved	0.0026	0.0786	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0188	0.0188
Echinococcus granulosus	GPCR family 2	0.0016	0.0413	0.0636
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0413	0.0636
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1597	0.2462
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0786	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Schistosoma mansoni	hypothetical protein	0.0011	0.0236	0.0364
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0262	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1597	0.2462
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0188	0.0188
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0188	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0188	0.0188
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2772	0.4272
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0188	0.0188
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6849	0.6819
Schistosoma mansoni	cpg binding protein	0.0037	0.1219	0.1878
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0188	0.029
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0413	0.0413
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0188	0.0188
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0188	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0188	0.0188
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0125	0.0193
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0236	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0786	0.0786
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0413	0.0413
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.176	0.176
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0188	0.0188
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0188	0.029
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.2658	0.4096
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0188	0.0188
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0207	0.032
Brugia malayi	steroid hormone receptor	0.001	0.0188	0.0188
Brugia malayi	CXXC zinc finger family protein	0.0035	0.1141	0.1141
Echinococcus granulosus	cpg binding protein	0.0037	0.1219	0.1878
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1136	0.1136
Echinococcus multilocularis	geminin	0.0172	0.6489	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1136	0.1136
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0125	0.0193
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0207	0.0207
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1597	0.2462
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0188	0.0188
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0188	0.0188
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1597	0.1597
Brugia malayi	hypothetical protein	0.0026	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0188	0.029
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0188	0.0188
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Brugia malayi	hypothetical protein	0.0016	0.0432	0.0432
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0236	0.0364
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2772	0.4272
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2772	0.2772
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0188	0.0188
Echinococcus multilocularis	cpg binding protein	0.0037	0.1219	0.1878
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0188	0.0188
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1597	0.2462
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0188	0.029
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2772	0.4272
Schistosoma mansoni	hypothetical protein	0.0016	0.0413	0.0636
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0188	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0188	0.0188
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0188	0.029
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0413	0.0636
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.176	0.176
Schistosoma mansoni	hypothetical protein	0.0035	0.1136	0.1751
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0413	0.0413
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6849	0.6819
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0413	0.0636
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0202	0.0202
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2772	0.4272
Brugia malayi	nuclear hormone receptor	0.001	0.0188	0.0188
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0188	0.029
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2772	0.4272
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0188	0.029
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0188	0.0188
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0188	0.029
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0188	0.029
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0188	0.029
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0786	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0413	0.0636
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0786	0.5
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2772	0.2772
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0188	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0188	0.0188
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.176	0.176
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0188	0.0188
Brugia malayi	ecdysteroid receptor	0.001	0.0188	0.0188
Schistosoma mansoni	hypothetical protein	0.0172	0.6489	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0188	0.0188
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0188	0.029
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0188	0.029
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1597	0.1597
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0188	0.029
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0188	0.029
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0188	0.0188
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0188	0.029
Loa Loa (eye worm)	hypothetical protein	0.0051	0.176	0.176
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.6489	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2772	0.4272
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2772	0.4272
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0188	0.029
Brugia malayi	TAR-binding protein	0.0076	0.2772	0.2772
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0125	0.0193
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0188	0.029
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0413	0.0636
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Schistosoma mansoni	hypothetical protein	0.0172	0.6489	1
Schistosoma mansoni	cpg binding protein	0.0037	0.1219	0.1878
Schistosoma mansoni	cpg binding protein	0.0035	0.1141	0.1759
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0207	0.032
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	1	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0413	0.0636
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0188	0.029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0188	0.0188
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0188	0.029
Brugia malayi	nuclear receptor NHR-88	0.001	0.0188	0.0188
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0125	0.0193
Loa Loa (eye worm)	hypothetical protein	0.001	0.0188	0.0188
Brugia malayi	RNA binding protein	0.0076	0.2772	0.2772
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0188	0.029
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.2351	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	1	1
Echinococcus granulosus	geminin	0.0172	0.6489	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1597	0.2462
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0188	0.029
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0125	0.0193
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2772	0.2772
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0413	0.0636
Schistosoma mansoni	hypothetical protein	0.0016	0.0413	0.0636
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0786	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0413	0.0413
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0188	0.029
Onchocerca volvulus		0.0035	0.1141	0.1513
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0188	0.029
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0188	0.029
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0188	0.0188
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0188	0.029
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2772	0.2772
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1597	0.2462
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.6489	0.6455
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0188	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0188	0.0188
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.1141	0.1141
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0786	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	1	1
Schistosoma mansoni	coup transcription factor	0.001	0.0188	0.029
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0786	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0188	0.0188

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 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)	= 50.1187 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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

ChEMBL: CHEMBL1601519

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 1439033