TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.414 | Formula: C20H22N4O3
H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCCn1c(=O)[nH]c2c(c1=NC(=O)Nc1cccc(c1)C)cccc2
InChi: 1S/C20H22N4O3/c1-14-7-5-8-15(13-14)21-19(25)23-18-16-9-3-4-10-17(16)22-20(26)24(18)11-6-12-27-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,25)(H,22,26)/b23-18+
InChiKey: NJYJPZGWPSAAFA-PTGBLXJZSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus		0.005	0.0591	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0073	0.0135
Schistosoma mansoni	amine oxidase	0.0042	0.045	0.0832
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0297	0.3203
Brugia malayi	nuclear hormone receptor	0.002	0.0073	0.0355
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.057	0.2767
Schistosoma mansoni	hypothetical protein	0.033	0.5417	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0539	0.2615
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.1087
Plasmodium falciparum	protoporphyrinogen oxidase	0.0042	0.045	0.0903
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0539	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0591	0.2865
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0334	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0042	0.045	0.2185
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0135	0.2062	0.3663
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0334	0.1619
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0042	0.045	0.0167
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0073	0.013
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0539	0.0322
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0073	0.0355
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0042	0.045	1
Schistosoma mansoni	DNA ligase IV	0.0029	0.0224	0.0414
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0029	0.0224	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0539	0.0322
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0073	0.013
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0297	0.3203
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0135	0.2062	0.3806
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0539	0.0322
Schistosoma mansoni	rotamase	0.0034	0.031	0.0573
Schistosoma mansoni	chromosome transmission fidelity factor	0.0029	0.0224	0.0414
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0042	0.045	0.23
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0034	0.031	0.1505
Schistosoma mansoni	topbp1	0.0029	0.0224	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0539	0.2615
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0304	0.1472
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0539	0.3201
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0073	0.013
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0073	0.0355
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0017	0.0025	0.012
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0073	0.0135
Brugia malayi	hypothetical protein	0.0042	0.045	0.2185
Echinococcus granulosus	geminin	0.033	0.5417	0.5718
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0073	0.0355
Treponema pallidum	DNA ligase (lig)	0.0029	0.0224	0.5
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0042	0.045	0.0903
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0073	0.0355
Brugia malayi	hypothetical protein	0.0029	0.0224	0.1087
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0539	1
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0034	0.031	0.1505
Brugia malayi	hypothetical protein	0.0029	0.0224	0.1087
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Plasmodium falciparum	chorismate synthase	0.0174	0.2731	1
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0029	0.0224	0.1087
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0539	0.3201
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0539	1
Onchocerca volvulus		0.0042	0.045	0.7288
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.1087
Leishmania major	UDP-galactopyranose mutase	0.0042	0.045	0.6343
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0073	0.0355
Schistosoma mansoni	amine oxidase	0.0042	0.045	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.1087
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0591	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0334	0.1619
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.045	0.0903
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	0.0086	0.1208	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0073	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0334	0.1619
Loa Loa (eye worm)	hypothetical protein	0.0042	0.045	0.2185
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0334	0.1619
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0539	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0073	0.0135
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0073	0.0355
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0073	0.0355
Toxoplasma gondii	chorismate synthase, putative	0.0174	0.2731	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0539	0.0322
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0073	0.013
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0334	0.1619
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0539	0.2615
Toxoplasma gondii	histone lysine-specific demethylase	0.0042	0.045	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0073	0.0355
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0539	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0539	0.2615
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0042	0.045	0.0832
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0073	0.0355
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0073	0.0135
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0073	0.013
Echinococcus multilocularis		0.0042	0.045	0.08
Brugia malayi	SWIRM domain containing protein	0.0042	0.045	0.2185
Echinococcus multilocularis	tumor protein p63	0.0342	0.5629	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0073	0.0355
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0073	0.0355
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0073	0.0077
Echinococcus multilocularis	geminin	0.033	0.5417	0.9624
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0073	0.0355
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0073	0.0355
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0042	0.045	0.0903
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0539	0.2615
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.1087
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0135	0.2062	0.3663
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.057	0.2767
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0073	0.013
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0042	0.045	0.0231
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0042	0.045	0.0903
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0073	0.0355
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0334	0.0112
Mycobacterium ulcerans	oxidoreductase	0.0042	0.045	0.0231
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0565	0.9472	1
Mycobacterium ulcerans	dehydrogenase	0.0042	0.045	0.0231
Schistosoma mansoni	topbp1	0.0029	0.0224	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0073	0.0355
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0135	0.2062	0.3806
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0135	0.2062	0.3806
Brugia malayi	Pax transcription activation domain interacting protein	0.0029	0.0224	0.1087
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0334	0.0438
Giardia lamblia	Replication factor C, subunit 1	0.0029	0.0224	0.5
Schistosoma mansoni	coup transcription factor	0.002	0.0073	0.0135
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0073	0.0135
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0334	0.0037
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0073	0.0355
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0073	0.0355
Onchocerca volvulus		0.0047	0.0539	0.9001
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0073	0.013
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0073	0.0135
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0073	0.0135
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0073	0.0077
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0073	0.0077
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0539	0.0322
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0073	0.0135
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Mycobacterium ulcerans	chorismate synthase	0.0174	0.2731	0.2564
Echinococcus multilocularis	expressed protein	0.0034	0.031	0.0551
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0073	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0049	0.057	0.2767
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	0.0086	0.1208	0.1011
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0539	0.0322
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0042	0.045	0.0903
Schistosoma mansoni	hypothetical protein	0.033	0.5417	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0135	0.2062	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Onchocerca volvulus		0.0029	0.0224	0.2916
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0042	0.045	0.0832
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0042	0.045	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0073	0.0355
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0073	0.0135
Echinococcus multilocularis	replication factor c subunit 1	0.0029	0.0224	0.0398
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0073	0.0077
Echinococcus granulosus	replication factor c subunit 1	0.0029	0.0224	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0042	0.045	0.2185
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.031	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0135	0.2062	0.2177
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0334	0.0438
Schistosoma mansoni	hypothetical protein	0.0033	0.0304	0.056
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0596	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0073	0.013
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0224	0.1087
Echinococcus granulosus	nibrin	0.0029	0.0224	0.0237
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0539	0.2615
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0304	0.1472
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0554	0.9277	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0042	0.045	0.2185
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0073	0.0135
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0073	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0073	0.0355
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0073	0.013
Mycobacterium tuberculosis	Possible oxidoreductase	0.0042	0.045	0.0167
Brugia malayi	topoisomerase	0.0029	0.0224	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0042	0.045	0.2185
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0539	0.0322
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0073	0.0077
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0073	0.0355
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0042	0.045	0.0903
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.057	0.2767
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0073	0.0135
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0073	0.0355
Echinococcus granulosus	tumor protein p63	0.0342	0.5629	0.5942
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Brugia malayi	nuclear receptor NHR-88	0.002	0.0073	0.0355
Trichomonas vaginalis	rotamase, putative	0.0033	0.0297	0.8407
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0042	0.045	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0539	1
Chlamydia trachomatis	chorismate synthase	0.0174	0.2731	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0033	0.0297	1
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.0297	0.0289
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0539	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0042	0.045	0.2185
Echinococcus granulosus	expressed protein	0.0034	0.031	0.0328
Mycobacterium ulcerans	monoamine oxidase	0.0042	0.045	0.0231
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0539	0.0322
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0073	0.0355
Echinococcus multilocularis	nibrin	0.0029	0.0224	0.0398
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0073	0.0355
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0539	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0042	0.045	0.2185
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0017	0.0025	0.012
Plasmodium vivax	chorismate synthase	0.0174	0.2731	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0135	0.2062	0.2177
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0042	0.045	0.0475
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0073	0.0077
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0073	0.0077
Brugia malayi	DKFZp564C0469 protein	0.0029	0.0224	0.1087
Brugia malayi	steroid hormone receptor	0.002	0.0073	0.0355
Brugia malayi	ecdysteroid receptor	0.002	0.0073	0.0355
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0073	0.0355
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0135	0.2062	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.045	0.0903
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0042	0.045	0.08
Loa Loa (eye worm)	hypothetical protein	0.002	0.0073	0.0355
Trichomonas vaginalis	rotamase, putative	0.0034	0.031	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0042	0.045	0.08
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0042	0.045	0.0475
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0033	0.0297	0.2301

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 684062