TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 290.098 | Formula: C10H11IO2
H donors: 0 H acceptors: 1 LogP: 2.36 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1O[C@H]2C3[C@@H]1C1CCC3C1[C@@H]2I
InChi: 1S/C10H11IO2/c11-8-5-3-1-2-4(5)7-6(3)9(8)13-10(7)12/h3-9H,1-2H2/t3?,4?,5?,6?,7-,8-,9-/m0/s1
InChiKey: AXJLIBVTGUIXGP-SUMKSWLKSA-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
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0021	0.0021
Onchocerca volvulus		0.0371	0.253	0.5342
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.0185	0.0185
Brugia malayi	nuclear hormone receptor family member odr-7	0.0015	0.0072	0.0086
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0015	0.0072	0.0072
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.0185	0.0185
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0017	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0084	0.0063
Brugia malayi	hypothetical protein	0.0016	0.0084	0.0113
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0084	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0111
Loa Loa (eye worm)	DR-78	0.0015	0.0072	0.0084
Echinococcus multilocularis	cpg binding protein	0.0031	0.0185	0.0164
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0173	0.0309
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0017	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.0185	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0371	0.253	0.5514
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.1454	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0084	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Schistosoma mansoni	sodium/solute symporter	0.0371	0.253	0.253
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.0185	0.0185
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0185	0.0334
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0185	0.0335
Echinococcus granulosus	cpg binding protein	0.0031	0.0185	0.0164
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0034	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0111
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0015	0.0072	0.0051
Brugia malayi	nuclear receptor RXR	0.0016	0.0084	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.0185	0.0245
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0185	0.0334
Brugia malayi	nuclear receptor NHR-67	0.0015	0.0072	0.0086
Brugia malayi	ecdysone receptor	0.0015	0.0072	0.0086
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0015	0.0072	0.0051
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0185	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0111
Echinococcus granulosus	solute carrier family 5	0.1454	1	1
Echinococcus granulosus	high affinity choline transporter 1	0.0371	0.253	0.2514
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0185	0.0164
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0185	0.0164
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0015	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.0185	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0651	0.446	0.9777
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0015	0.0072	0.0086
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0084	0.0113
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0072	0.0072
Brugia malayi	Nuclear hormone receptor E75	0.0015	0.0072	0.0086
Schistosoma mansoni	hypothetical protein	0.0053	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0185	0.0335
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0185	0.0335
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0015	0.0072	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0371	0.253	0.5514
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0017	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0185	0.0185
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Brugia malayi	hypothetical protein	0.0015	0.0072	0.0086
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0015	0.0072	0.0051
Echinococcus multilocularis	solute carrier family 5	0.1454	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Schistosoma mansoni	nuclear receptor	0.0015	0.0072	0.0072
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0185	0.0334
Brugia malayi	orphan nuclear receptor NR2E1	0.0015	0.0072	0.0086
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.0185	0.0185
Onchocerca volvulus		0.0029	0.0173	0.0221
Onchocerca volvulus		0.0031	0.0185	0.0245
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.04	0.04
Brugia malayi	nuclear hormone receptor	0.0665	0.4561	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Schistosoma mansoni	cpg binding protein	0.0029	0.0173	0.0173
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0185	0.0335
Brugia malayi	GH02984p	0.0371	0.253	0.5515
Brugia malayi	Sodium:solute symporter family protein	0.0371	0.253	0.5515
Echinococcus granulosus	nuclear receptor nhr 48	0.0015	0.0072	0.0051
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0185	0.0164
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.0185	0.0164
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.1454	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0185	0.0335
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0185	0.0335
Trichomonas vaginalis	helicase, putative	0.0007	0.0017	0.5
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0015	0.0072	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Schistosoma mansoni	hypothetical protein	0.0418	0.2854	0.2854
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0015	0.0072	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0084	0.0111
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.0185	0.0185
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.0185	0.0164
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0017	0.5
Brugia malayi	hypothetical protein	0.0015	0.0072	0.0086
Schistosoma mansoni	zinc finger protein	0.0015	0.0072	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Brugia malayi	nuclear hormone receptor	0.0031	0.0185	0.0335
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.0185	0.0185
Brugia malayi	nuclear receptor NHR-88	0.0015	0.0072	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Schistosoma mansoni	cpg binding protein	0.0031	0.0185	0.0185
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0017	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0084	0.0084
Brugia malayi	steroid hormone receptor	0.0031	0.0185	0.0335
Loa Loa (eye worm)	nuclear hormone receptor	0.0015	0.0072	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Brugia malayi	tailless protein	0.0015	0.0072	0.0086
Brugia malayi	hypothetical protein	0.0016	0.0084	0.0113
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.0185	0.0164
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.0185	0.0185
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0185	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Brugia malayi	nuclear receptor RXR	0.0015	0.0072	0.0086
Schistosoma mansoni	coup transcription factor	0.0031	0.0185	0.0185
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.0185	0.0245
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0034	0.0012
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.0185	0.0164
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0185	0.0185
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0185	0.0335
Brugia malayi	conserved hypotetical protein	0.0015	0.0072	0.0086
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.0185	0.0164
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0185	0.0334
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0185	0.0335
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.0185	0.0164
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0185	0.0334
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0185	0.0185
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0185	0.0335
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0185	0.0335
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0185	0.0335
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0665	0.4561	1
Schistosoma mansoni	inositol transporter	0.1454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.0185	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0015	0.0072	0.0051
Schistosoma mansoni	nuclear receptor nhr-48	0.0015	0.0072	0.0072
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0185	0.0334
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0185	0.0335
Echinococcus granulosus	sodium:glucose cotransporter 2	0.1454	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0015	0.0072	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Echinococcus multilocularis	high affinity choline transporter 1	0.0371	0.253	0.2514
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0371	0.253	0.2514
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0084	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0185	0.0334
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0072	0.0051
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.0185	0.0164
Schistosoma mansoni	nuclear receptor	0.0015	0.0072	0.0072
Echinococcus multilocularis	dnaJ subfamily B	0.0418	0.2854	0.2838
Echinococcus multilocularis	nuclear receptor nhr 48	0.0015	0.0072	0.0051
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0173	0.031
Schistosoma mansoni	high-affinity choline transporter	0.0371	0.253	0.253
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0084	0.0111
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0185	0.0335
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0185	0.0335
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0682	0.4674	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.0185	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0185	0.0334
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0371	0.253	0.2514
Schistosoma mansoni	inositol transporter	0.1454	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.0185	0.0164
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0015	0.0072	0.0084
Brugia malayi	ecdysteroid receptor	0.0031	0.0185	0.0335
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0185	0.0164
Echinococcus granulosus	thyroid hormone receptor alpha	0.0015	0.0072	0.0051
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.0185	0.0164
Echinococcus granulosus	sodium:myo inositol cotransporter	0.1454	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0072	0.0051
Echinococcus granulosus	dnaJ subfamily B	0.0418	0.2854	0.2838
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0185	0.0185
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0017	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0015	0.0072	0.0086
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.0185	0.0164
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0072	0.0072
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0185	0.0334
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0185	0.0185
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0185	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0072	0.0084
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0371	0.253	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1998849

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 1626386