Detailed information for compound 1487687

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.54 | Formula: C27H23NO5S
  • H donors: 1 H acceptors: 4 LogP: 5.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)c1cc2c(o1)cccc2)NCC(C)(C)C
  • InChi: 1S/C27H23NO5S/c1-27(2,3)15-28-26(30)19-8-6-10-22-24(19)25(29)18-12-11-17(14-23(18)34(22,31)32)21-13-16-7-4-5-9-20(16)33-21/h4-14H,15H2,1-3H3,(H,28,30)
  • InChiKey: IUBXPLVBLJLSGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
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
Echinococcus granulosus Furin 1 0.0198 0.1723 0.2021
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Toxoplasma gondii subtilisin SUB12 0.0036 0 0.5
Toxoplasma gondii subtilisin SUB6 0.0036 0 0.5
Brugia malayi RNA, U transporter 1 0.0099 0.0669 0.0784
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0163 0.1342 0.2667
Toxoplasma gondii subtilisin SUB9 0.0036 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.1723 0.3423
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0511 0.5033 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0036 0 0.5
Plasmodium falciparum subtilisin-like protease 3 0.0036 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Echinococcus granulosus furin 0.084 0.8528 1
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.033 0.3113 0.3651
Echinococcus multilocularis Furin 1 0.0198 0.1723 0.1723
Toxoplasma gondii subtilisin SUB11 0.0036 0 0.5
Toxoplasma gondii subtilisin SUB4 0.0036 0 0.5
Toxoplasma gondii subtilisin SUB2 0.0036 0 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.356 0.4174
Loa Loa (eye worm) hypothetical protein 0.084 0.8528 1
Toxoplasma gondii subtilisin SUB7 0.0036 0 0.5
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0163 0.1342 0.2667
Plasmodium vivax subtilisin-like protease 1 0.0036 0 0.5
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0036 0 0.5
Schistosoma mansoni furin-1 (S08 family) 0.0366 0.3494 0.4097
Trichomonas vaginalis hypothetical protein 0.0163 0.1342 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.1723 0.3423
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.1723 0.3423
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Echinococcus granulosus snurportin 1 0.0372 0.356 0.4174
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0036 0 0.5
Brugia malayi neuroendocrine convertase 1 precursor 0.0528 0.5217 0.6118
Schistosoma mansoni hypothetical protein 0.0041 0.0056 0.0065
Plasmodium vivax subtilisin-like serine protease, putative 0.0036 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0257 0.0302
Leishmania major subtilisin-like serine peptidase 0.0036 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0056 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Loa Loa (eye worm) proprotein convertase 2 0.0198 0.1723 0.2021
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0036 0 0.5
Brugia malayi proprotein convertase 2 0.0528 0.5217 0.6118
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0036 0 0.5
Trypanosoma cruzi subtilisin peptidase 0.0036 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.1723 0.3423
Echinococcus multilocularis 0.0678 0.6805 0.6805
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0036 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0036 0 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0511 0.5033 0.5033
Trypanosoma brucei subtilisin peptidase 0.0036 0 0.5
Mycobacterium leprae Possible secreted protease 0.0036 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0257 0.0302
Toxoplasma gondii subtilisin SUB8 0.0036 0 0.5
Brugia malayi endoprotease bli-4 precursor 0.084 0.8528 1
Toxoplasma gondii subtilisin SUB10 0.0036 0 0.5
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0036 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Echinococcus granulosus neuroendocrine convertase 2 0.0528 0.5217 0.6118
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0511 0.5033 0.5903
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Loa Loa (eye worm) hypothetical protein 0.006 0.0257 0.0302
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0036 0 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.084 0.8528 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0036 0 0.5
Brugia malayi celfurPC protein 0.0678 0.6805 0.7979
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.1723 0.3423
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0257 0.0302
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0163 0.1342 0.2667
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Toxoplasma gondii subtilisin SUB1 0.0036 0 0.5
Loa Loa (eye worm) endoprotease bli-4 0.084 0.8528 1
Toxoplasma gondii subtilisin SUB5 0.0036 0 0.5
Plasmodium vivax subtilisin-like protease 2, putative 0.0036 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Echinococcus multilocularis neuroendocrine convertase 2 0.0528 0.5217 0.5217
Schistosoma mansoni hypothetical protein 0.0163 0.1342 0.1574
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0198 0.1723 0.2021
Plasmodium falciparum subtilisin-like protease 1 0.0036 0 0.5
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0036 0 0.5
Plasmodium falciparum subtilisin-like protease 2 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0056 0.0065
Echinococcus multilocularis snurportin 1 0.0372 0.356 0.356
Schistosoma mansoni hypothetical protein 0.0372 0.356 0.4174
Giardia lamblia High cysteine membrane protein Group 2 0.0312 0.293 1
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1342 0.2667
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0036 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0198 0.1723 0.3423
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0511 0.5033 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 6.5104 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (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

Bibliographic References

No literature references available for this target.

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