Detailed information for compound 582360

Basic information

Technical information
  • TDR Targets ID: 582360
  • Name: 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxo-spi ro[isobenzofuran-3,9'-xanthene]-5-yl)thiourea
  • MW: 505.585 | Formula: C27H27N3O5S
  • H donors: 5 H acceptors: 3 LogP: 3.52 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(cc2Oc2c1ccc(c2)O)O
  • InChi: 1S/C27H27N3O5S/c28-11-3-1-2-4-12-29-26(36)30-16-5-8-19-22(13-16)27(35-25(19)33)20-9-6-17(31)14-23(20)34-24-15-18(32)7-10-21(24)27/h5-10,13-15,31-32H,1-4,11-12,28H2,(H2,29,30,36)
  • InChiKey: YLQURFUIUHWJCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]yl)thiourea
  • 1-(6-azanylhexyl)-3-(3',6'-dihydroxy-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
  • 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-keto-spiro[phthalan-3,9'-xanthene]-5-yl)thiourea
  • 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
  • 4-(N-6-aminohexylthioureal)fluorescein
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-keto-spiro[isobenzofuran-3,9'-xanthene]-5-yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
  • 77228-88-7
  • 4-N-6-Ahtuf
  • Thiourea, N-(6-aminohexyl)-N'-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-6-yl)-

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0409 0.4981 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0157 0.3345
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0426 0.1484
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0306 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0252 0.0395
Echinococcus multilocularis hormone sensitive lipase 0.0409 0.4981 0.4952
Brugia malayi Importin beta-1 subunit 0.0029 0.0157 0.0546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.1511 0.5264
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0252 0.6562
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.2761 0.549
Loa Loa (eye worm) hypothetical protein 0.0409 0.4981 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0235 0.036
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.012 0.3206
Schistosoma mansoni survival motor neuron protein 0.005 0.0412 0.0719
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0086 0.1446
Loa Loa (eye worm) acetyltransferase 0.0153 0.1728 0.3392
Loa Loa (eye worm) hypothetical protein 0.0243 0.287 0.5713
Loa Loa (eye worm) hypothetical protein 0.0027 0.012 0.0127
Trichomonas vaginalis esterase, putative 0.0037 0.0252 0.6562
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0222 0.0773
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0252 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0157 0.5097
Loa Loa (eye worm) hypothetical protein 0.0035 0.0222 0.0334
Mycobacterium ulcerans hypothetical protein 0.0037 0.0252 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0252 0.0236
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0086 0.0949
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0409 0.4981 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0086 0.0949
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0252 0.0878
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0235 0.0215
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0354 0.036
Echinococcus granulosus neuropeptide receptor A26 0.0492 0.6041 0.7267
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.012 0.2508
Loa Loa (eye worm) hypothetical protein 0.0051 0.0426 0.0748
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0235 0.0178
Echinococcus granulosus neuropeptide s receptor 0.0492 0.6041 0.7267
Echinococcus granulosus tumor protein p63 0.0669 0.8292 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0306 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0252 0.5
Brugia malayi follicle stimulating hormone receptor 0.0234 0.2761 0.9618
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.012 0.3206
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0252 0.6562
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.012 0.3206
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.012 0.2508
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0252 0.0196
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0058 0.0201
Loa Loa (eye worm) hypothetical protein 0.0029 0.0157 0.0201
Entamoeba histolytica hypothetical protein 0.0024 0.0086 0.1131
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0306 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.012 0.2104
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0354 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0157 0.5097
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.1728 0.602
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.1728 0.3392
Schistosoma mansoni importin beta-1 0.0029 0.0157 0.0201
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0426 0.0748
Plasmodium falciparum importin beta, putative 0.0029 0.0157 0.3986
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0252 0.6562
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0412 0.1434
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0252 0.6562
Schistosoma mansoni hypothetical protein 0.0315 0.3787 0.7575
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.2788 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0252 0.6562
Loa Loa (eye worm) hypothetical protein 0.0098 0.1027 0.1969
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0252 0.0395
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0354 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0252 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1511 0.1765
Brugia malayi beta-lactamase family protein 0.0037 0.0252 0.0878
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.1673 0.1962
Echinococcus multilocularis tumor protein p63 0.0669 0.8292 0.8282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1511 0.1462
Entamoeba histolytica hypothetical protein 0.0036 0.0235 0.7125
Onchocerca volvulus 0.0098 0.1027 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1511 0.1765
Brugia malayi beta-lactamase 0.0037 0.0252 0.0878
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0086 0.0949
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0252 0.0395
Loa Loa (eye worm) hypothetical protein 0.0037 0.0252 0.0395
Brugia malayi beta-lactamase family protein 0.0037 0.0252 0.0878
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.287 0.2829
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.1728 0.168
Loa Loa (eye worm) hypothetical protein 0.0037 0.0252 0.0395
Schistosoma mansoni hypothetical protein 0.0035 0.0222 0.0334
Onchocerca volvulus 0.005 0.0412 0.2058
Brugia malayi hypothetical protein 0.0036 0.0235 0.0818
Schistosoma mansoni cellular tumor antigen P53 0.0098 0.1027 0.1969
Leishmania major hypothetical protein, conserved 0.0027 0.012 0.3206
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0354 1
Echinococcus multilocularis neuropeptide s receptor 0.0492 0.6041 0.6018
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0409 0.4981 1
Brugia malayi hypothetical protein 0.0243 0.287 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0252 1
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.287 0.3416
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1511 0.2952
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0252 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0235 0.7125
Loa Loa (eye worm) beta-lactamase 0.0037 0.0252 0.0395
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0157 0.01
Entamoeba histolytica hypothetical protein 0.0036 0.0235 0.7125
Plasmodium vivax importin-beta 2, putative 0.0029 0.0157 0.3345
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.1511 0.2952
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0354 1
Echinococcus granulosus hormone sensitive lipase 0.0409 0.4981 0.598
Brugia malayi RNA, U transporter 1 0.0084 0.0849 0.2956
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0354 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.0086 0.1446
Echinococcus multilocularis snurportin 1 0.0315 0.3787 0.3751
Leishmania major hypothetical protein, conserved 0.0037 0.0252 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0252 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1511 0.2952
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0252 0.6562
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1511 0.1462
Schistosoma mansoni hypothetical protein 0.0036 0.0235 0.036
Echinococcus granulosus importin subunit beta 1 0.0029 0.0157 0.012
Schistosoma mansoni hypothetical protein 0.005 0.0412 0.0719
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0252 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0252 0.0395
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1511 0.2952
Brugia malayi hypothetical protein 0.0027 0.012 0.0418
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0252 0.6562
Entamoeba histolytica hypothetical protein 0.0036 0.0235 0.7125
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.3787 0.7575
Mycobacterium ulcerans beta-lactamase 0.0037 0.0252 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0252 0.0395
Loa Loa (eye worm) hypothetical protein 0.0037 0.0252 0.0395
Loa Loa (eye worm) hypothetical protein 0.0037 0.0252 0.0395
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.012 0.2104
Echinococcus multilocularis neuropeptide receptor A26 0.0492 0.6041 0.6018
Mycobacterium ulcerans lipase LipD 0.0037 0.0252 0.5
Echinococcus granulosus snurportin 1 0.0315 0.3787 0.453
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0426 0.1484

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

Bibliographic References

No literature references available for this target.

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