TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 587.588 | Formula: C33H28F3N3O4
H donors: 1 H acceptors: 3 LogP: 6.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: O=C1CC(C)(C)CC2=C1C(C(=O)N2c1ccccc1)(c1c(C)[nH]n(c1=O)c1ccc(cc1)Oc1ccccc1)C(F)(F)F
InChi: 1S/C33H28F3N3O4/c1-20-27(29(41)39(37-20)22-14-16-24(17-15-22)43-23-12-8-5-9-13-23)32(33(34,35)36)28-25(18-31(2,3)19-26(28)40)38(30(32)42)21-10-6-4-7-11-21/h4-17,37H,18-19H2,1-3H3
InChiKey: OAWGHDMXHHNCLN-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ELOVL fatty acid elongase 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium knowlesi	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium yoelii	30 kDa glycoprotein	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium vivax	GNS1/SUR4 domain containing protein	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania braziliensis	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania major	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania donovani	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Brugia malayi	GNS1/SUR4 family protein	Get druggable targets OG5_127859	All targets in OG5_127859
Candida albicans	one of three potential fatty acid elongase genes similar to S. cerevisiae FEN1 (YCR034W), SUR4 (YLR372W) and ELO1 (YJL196C ELO1)	Get druggable targets OG5_127859	All targets in OG5_127859
Cryptosporidium parvum	7 pass integral membrane proteinwith FLHWFHH motif shared with fatty-acyl elongase	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium falciparum	long chain fatty acid elongation enzyme, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Neospora caninum	GNS1/SUR4 family domain-containing protein, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma brucei gambiense	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania donovani	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Loa Loa (eye worm)	fatty acid elongation protein 3	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma brucei	Fatty acid elongase	Get druggable targets OG5_127859	All targets in OG5_127859
Toxoplasma gondii	integral membrane protein, GNS1/SUR4 family protein, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Neospora caninum	GNS1/SUR4 domain containing protein, related	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania infantum	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma cruzi	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania infantum	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania mexicana	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Cryptosporidium hominis	fatty-acyl elongase	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania mexicana	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium falciparum	fatty acid elongation protein, GNS1/SUR4 family, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma cruzi	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Brugia malayi	Fatty acid elongation protein 3	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania mexicana	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma cruzi	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma cruzi	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Toxoplasma gondii	GNS1/SUR4 family protein	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania braziliensis	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania major	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania major	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium berghei	long chain fatty acid elongation enzyme, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania infantum	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Plasmodium yoelii	unnamed protein product, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Leishmania braziliensis	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Trypanosoma congolense	fatty acid elongase, putative	Get druggable targets OG5_127859	All targets in OG5_127859
Loa Loa (eye worm)	GNS1/SUR4 family protein	Get druggable targets OG5_127859	All targets in OG5_127859
Candida albicans	one of three potential fatty acid elongase genes similar to S. cerevisiae FEN1 (YCR034W), SUR4 (YLR372W) and ELO1 (YJL196C ELO1)	Get druggable targets OG5_127859	All targets in OG5_127859

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	Fatty acid elongase	ELOVL fatty acid elongase 6	265 aa	259 aa	34.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0032	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0032	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0032	0	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0032	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0032	0	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0032	0	0.5
Plasmodium falciparum	fatty acid elongation protein, GNS1/SUR4 family, putative	0.005	1	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0032	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0032	0	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0032	0	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0032	0	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0032	0	0.5
Toxoplasma gondii	GNS1/SUR4 family protein	0.005	1	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0032	0	0.5
Leishmania major	fatty acid elongase, putative	0.005	1	0.5
Trypanosoma cruzi	fatty acid elongase, putative	0.005	1	0.5
Echinococcus granulosus	hypothetical protein	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0032	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0032	0	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0032	0	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0032	0	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0032	0	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0032	0	0.5
Trypanosoma brucei	Fatty acid elongase	0.005	1	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0032	0	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0032	0	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0032	0	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0032	0	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus multilocularis	somatostatin receptor	0.0032	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0032	0	0.5
Schistosoma mansoni	amine GPCR	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.0032	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus granulosus	serotonin receptor	0.0032	0	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0032	0	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0032	0	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0032	0	0.5
Echinococcus granulosus	fmrfamide receptor	0.0032	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0032	0	0.5
Brugia malayi	GNS1/SUR4 family protein	0.005	1	1
Schistosoma mansoni	neuropeptide receptor	0.0032	0	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0032	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0032	0	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Plasmodium falciparum	long chain fatty acid elongation enzyme, putative	0.005	1	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0032	0	0.5
Schistosoma mansoni	myosin xvIII	0.0032	0	0.5
Schistosoma mansoni	amine GPCR	0.0032	0	0.5
Schistosoma mansoni	histamine h1 receptor	0.0032	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.0032	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0032	0	0.5
Trypanosoma cruzi	fatty acid elongase, putative	0.005	1	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0032	0	0.5
Toxoplasma gondii	integral membrane protein, GNS1/SUR4 family protein, putative	0.005	1	0.5
Schistosoma mansoni	neuropeptide receptor	0.0032	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0032	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Trypanosoma cruzi	fatty acid elongase, putative	0.005	1	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0032	0	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0032	0	0.5
Leishmania major	fatty acid elongase, putative	0.005	1	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0032	0	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0032	0	0.5
Plasmodium vivax	GNS1/SUR4 domain containing protein	0.005	1	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0032	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0032	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0032	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0	0.5
Echinococcus multilocularis	serotonin receptor	0.0032	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0032	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0032	0	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0032	0	0.5
Echinococcus multilocularis	sex peptide receptor	0.0032	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0032	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0032	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0032	0	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0032	0	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0032	0	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0032	0	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0032	0	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0032	0	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0032	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0032	0	0.5
Leishmania major	fatty acid elongase, putative	0.005	1	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Loa Loa (eye worm)	fatty acid elongation protein 3	0.005	1	1
Loa Loa (eye worm)	GNS1/SUR4 family protein	0.005	1	1
Echinococcus multilocularis	g-protein coupled receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Schistosoma mansoni	amine GPCR	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Schistosoma mansoni	biogenic amine receptor	0.0032	0	0.5
Schistosoma mansoni	amine GPCR	0.0032	0	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0032	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0032	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0032	0	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0032	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0032	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0032	0	0.5
Schistosoma mansoni	adenoreceptor	0.0032	0	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0032	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Schistosoma mansoni	opsin-like receptor	0.0032	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0032	0	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0032	0	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0032	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0032	0	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0032	0	0.5
Echinococcus granulosus	sex peptide receptor	0.0032	0	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0032	0	0.5
Echinococcus granulosus	g protein coupled receptor	0.0032	0	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0032	0	0.5
Echinococcus multilocularis	serotonin receptor	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Echinococcus granulosus	somatostatin receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0	0.5
Echinococcus granulosus	orexin receptor type 2	0.0032	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0032	0	0.5
Onchocerca volvulus		0.0032	0	0.5
Trypanosoma cruzi	fatty acid elongase, putative	0.005	1	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0032	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5
Schistosoma mansoni	amine GPCR	0.0032	0	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0032	0	0.5
Echinococcus granulosus	allatostatin A receptor	0.0032	0	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0032	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.0032	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 196 nM	Inhibition of human ELOVL6 expressed in african green monkey COS7 cells assessed as palmitoyl-CoA elongation	ChEMBL.	19388647

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: CHEMBL447672

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 950925