Detailed information for compound 1545105

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.376 | Formula: C20H20FNO3
  • H donors: 2 H acceptors: 3 LogP: 1.37 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CN1Cc2cccc3c2[C@@H](CC1=O)[C@H](O)[C@@H](C3)O
  • InChi: 1S/C20H20FNO3/c21-15-6-4-12(5-7-15)10-22-11-14-3-1-2-13-8-17(23)20(25)16(19(13)14)9-18(22)24/h1-7,16-17,20,23,25H,8-11H2/t16-,17-,20+/m1/s1
  • InChiKey: KUWLRRBOKNRDQC-HLIPFELVSA-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 glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.1179 0.5
Echinococcus multilocularis snurportin 1 0.0314 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.4369 0.4369
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.2187 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 0.5
Echinococcus granulosus importin subunit beta 1 0.0029 0.0266 0.0266
Echinococcus granulosus tar DNA binding protein 0.0127 0.3593 0.3593
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.2187 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.4369 0.4369
Loa Loa (eye worm) RNA binding protein 0.0127 0.3593 0.3593
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0266 1
Brugia malayi Probable ClpP-like protease 0.0085 0.2187 0.5007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.4369 0.4369
Onchocerca volvulus Huntingtin homolog 0.0125 0.3534 0.5
Brugia malayi TAR-binding protein 0.0127 0.3593 0.8226
Loa Loa (eye worm) hypothetical protein 0.0085 0.2187 0.2187
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.3593 0.3593
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3593 0.3593
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0268 0.1226
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.1179 0.5
Echinococcus multilocularis tar DNA binding protein 0.0127 0.3593 0.3593
Brugia malayi hypothetical protein 0.0125 0.3534 0.809
Schistosoma mansoni importin beta-1 0.0029 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0125 0.3534 0.3534
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0075 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0268 0.1226
Schistosoma mansoni hypothetical protein 0.0314 1 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.3534 0.3534
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.4369 0.4369
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.1179 0.1179
Brugia malayi RNA binding protein 0.0127 0.3593 0.8226
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0075 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 0.5
Loa Loa (eye worm) TAR-binding protein 0.0127 0.3593 0.3593
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3262 0.3262
Leishmania major importin beta-1 subunit, putative 0.0024 0.0075 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0 0.5
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0075 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3593 0.3593
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.4369 0.4369
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0266 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.4369 0.4369
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.4369 0.4369
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3593 0.3593
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.2187 0.2187
Plasmodium falciparum importin beta, putative 0.0029 0.0266 0.1214
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0075 1
Entamoeba histolytica hypothetical protein 0.0024 0.0075 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.4369 0.4369
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3262 0.3262
Brugia malayi Importin beta-1 subunit 0.0029 0.0266 0.0608
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0266 0.0266
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.2187 0.2187
Plasmodium vivax importin-beta 2, putative 0.0029 0.0266 0.1214
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.1179 0.1179
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3593 0.3593
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.3593 0.8226
Toxoplasma gondii hypothetical protein 0.0029 0.0268 0.1226
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.1179 0.4744
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.2187 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.4369 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.2187 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.2187 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0266 0.0266
Onchocerca volvulus Huntingtin homolog 0.0125 0.3534 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3593 0.3593
Brugia malayi MH2 domain containing protein 0.0117 0.3262 0.7466
Brugia malayi RNA, U transporter 1 0.0084 0.2121 0.4854
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0266 0.1214
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.2187 0.2187

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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

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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