Detailed information for compound 924670

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.478 | Formula: C22H21FN2OS
  • H donors: 1 H acceptors: 1 LogP: 5.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(s1)C1Nc2cccc(c2C(=O)N1Cc1ccc(cc1)F)C
  • InChi: 1S/C22H21FN2OS/c1-3-17-11-12-19(27-17)21-24-18-6-4-5-14(2)20(18)22(26)25(21)13-15-7-9-16(23)10-8-15/h4-12,21,24H,3,13H2,1-2H3
  • InChiKey: PNMLWXVQRJCPPY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.1042 0.1951
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.0274 0.2626
Brugia malayi Calcitonin receptor-like protein seb-1 0.0036 0.0539 0.0615
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0222 0.2128
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0018 0.0135 0.7687
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0222 0.0253
Schistosoma mansoni transcription factor LCR-F1 0.0053 0.0901 0.1688
Trichomonas vaginalis dullard protein, putative 0.002 0.0176 0.0041
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.002 0.0176 0.0201
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.002 0.0176 0.033
Schistosoma mansoni ran 0.0018 0.0135 0.0254
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.002 0.0176 0.0532
Toxoplasma gondii PHD-finger domain-containing protein 0.0022 0.0222 0.2128
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.002 0.0176 0.033
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0176 1
Plasmodium falciparum phd finger protein, putative 0.0022 0.0222 0.6091
Brugia malayi hypothetical protein 0.0221 0.4531 0.5175
Schistosoma mansoni hypothetical protein 0.0019 0.0171 0.032
Echinococcus granulosus GTP binding nuclear protein Ran 0.0018 0.0135 0.0254
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0018 0.0135 0.4948
Echinococcus multilocularis peregrin 0.0022 0.0222 0.0415
Brugia malayi jmjC domain containing protein 0.0071 0.1295 0.1479
Brugia malayi Importin beta-1 subunit 0.0024 0.0274 0.0312
Trichomonas vaginalis dullard protein, putative 0.002 0.0176 0.0041
Echinococcus granulosus sodium bile acid cotransporter 0.0167 0.3357 0.6288
Toxoplasma gondii PHD-finger domain-containing protein 0.0022 0.0222 0.2128
Loa Loa (eye worm) hypothetical protein 0.0022 0.0222 0.0253
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0028 0.0364 0.3494
Entamoeba histolytica hypothetical protein 0.002 0.0175 0.0512
Loa Loa (eye worm) hypothetical protein 0.0024 0.0274 0.0312
Loa Loa (eye worm) hypothetical protein 0.0167 0.3357 0.3834
Schistosoma mansoni jumonji/arid domain-containing protein 0.0026 0.0321 0.0601
Loa Loa (eye worm) hypothetical protein 0.006 0.1042 0.119
Schistosoma mansoni hypothetical protein 0.0187 0.3788 0.7095
Plasmodium vivax SET domain protein, putative 0.006 0.1042 1
Echinococcus granulosus jumonji domain containing protein 0.003 0.0406 0.0761
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.002 0.0176 0.169
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0018 0.0135 0.3719
Echinococcus multilocularis sodium bile acid cotransporter 0.0167 0.3357 0.6288
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0175 0.004
Brugia malayi hypothetical protein 0.0053 0.0901 0.1029
Entamoeba histolytica hypothetical protein 0.0053 0.0901 1
Schistosoma mansoni sodium-bile acid cotransporter related 0.0167 0.3357 0.6288
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0274 0.0512
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0175 0.004
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0977 0.1831
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.002 0.0176 0.169
Echinococcus multilocularis sodium bile acid cotransporter 0.0167 0.3357 0.6288
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0036 0.0539 0.0615
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.1042 0.1951
Brugia malayi Sodium Bile acid symporter family protein 0.0167 0.3357 0.3834
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0028 0.0364 1
Leishmania major hypothetical protein, conserved 0.002 0.0176 1
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.002 0.0176 0.0041
Mycobacterium ulcerans endonuclease IV 0.0028 0.0364 0.5
Echinococcus multilocularis 0.002 0.0176 0.033
Loa Loa (eye worm) hypothetical protein 0.0037 0.0559 0.0638
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0036 0.0539 0.0615
Loa Loa (eye worm) hypothetical protein 0.0221 0.4531 0.5175
Echinococcus multilocularis lysine specific demethylase 5A 0.0026 0.0321 0.0601
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0274 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0171 0.0195
Echinococcus granulosus PHD finger protein rhinoceros 0.0022 0.0222 0.0415
Echinococcus multilocularis snurportin 1 0.0258 0.5338 1
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.002 0.0176 0.4715
Echinococcus granulosus geminin 0.0187 0.3788 0.7095
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0053 0.0901 0.1688
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0018 0.0135 0.0254
Trichomonas vaginalis importin beta-1, putative 0.002 0.0175 0.004
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.002 0.0176 0.6436
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.002 0.0176 0.169
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.1042 0.1951
Echinococcus granulosus sodium bile acid cotransporter 0.0167 0.3357 0.6288
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0028 0.0364 0.0416
Brugia malayi Pre-SET motif family protein 0.006 0.1042 0.119
Schistosoma mansoni jumonji/arid domain-containing protein 0.0026 0.0321 0.0601
Echinococcus granulosus sodium bile acid cotransporter 0.0167 0.3357 0.6288
Schistosoma mansoni hypothetical protein 0.0022 0.0222 0.0415
Schistosoma mansoni hypothetical protein 0.0258 0.5338 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1295 0.2425
Brugia malayi latrophilin 2 splice variant baaae 0.0025 0.0289 0.033
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.002 0.0176 0.4838
Brugia malayi Bromodomain containing protein 0.0022 0.0222 0.0253
Echinococcus multilocularis sodium bile acid cotransporter 0.0167 0.3357 0.6288
Loa Loa (eye worm) hypothetical protein 0.002 0.0176 0.0201
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.002 0.0176 0.0041
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0018 0.0135 0.1299
Loa Loa (eye worm) hypothetical protein 0.0036 0.0539 0.0615
Schistosoma mansoni hypothetical protein 0.0053 0.0901 0.1688
Onchocerca volvulus 0.0221 0.4531 0.4407
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.002 0.0176 0.033
Schistosoma mansoni sodium-bile acid cotransporter 0.0099 0.1894 0.3549
Echinococcus granulosus CTD small phosphatase protein like 0.002 0.0176 0.033
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1295 0.2425
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0994 0.1862
Loa Loa (eye worm) hypothetical protein 0.0025 0.0289 0.033
Schistosoma mansoni importin beta-1 0.0024 0.0274 0.0512
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0258 0.5338 0.6097
Entamoeba histolytica hypothetical protein 0.0053 0.0901 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0022 0.0222 0.0415
Trichomonas vaginalis dullard protein, putative 0.002 0.0176 0.0041
Leishmania major importin beta-1 subunit, putative 0.002 0.0175 0.9914
Entamoeba histolytica hypothetical protein 0.0053 0.0901 1
Schistosoma mansoni hypothetical protein 0.0025 0.0289 0.0542
Trichomonas vaginalis set domain proteins, putative 0.0474 1 1
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0028 0.0364 1
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0028 0.0364 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.1042 0.1951
Echinococcus multilocularis jumonji domain containing protein 0.003 0.0406 0.0761
Entamoeba histolytica hypothetical protein 0.0053 0.0901 1
Echinococcus granulosus snurportin 1 0.0258 0.5338 1
Toxoplasma gondii endonuclease IV APN 0.0028 0.0364 0.3494
Loa Loa (eye worm) hypothetical protein 0.0298 0.6203 0.7085
Brugia malayi Pre-SET motif family protein 0.0416 0.8756 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0053 0.0901 0.1688
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0018 0.0135 0.0155
Echinococcus granulosus peregrin 0.0022 0.0222 0.0415
Loa Loa (eye worm) hypothetical protein 0.0028 0.0364 0.0416
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0018 0.0135 0.1299
Plasmodium vivax importin-beta 2, putative 0.0024 0.0274 0.2626
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0175 0.9914
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.002 0.0176 0.0041
Schistosoma mansoni hypothetical protein 0.0187 0.3788 0.7095
Giardia lamblia PHD finger protein 15 0.0022 0.0222 1
Leishmania major GTP-binding protein, putative 0.0018 0.0135 0.7687
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.002 0.0176 0.0041
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0022 0.0222 0.0415
Schistosoma mansoni ran 0.0018 0.0135 0.0254
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0416 0.8756 1
Chlamydia trachomatis endonuclease IV 0.0028 0.0364 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0274 1
Plasmodium falciparum importin beta, putative 0.0024 0.0274 0.7516
Echinococcus granulosus lysine specific demethylase 5A 0.0026 0.0321 0.0601
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0321 0.0367
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.002 0.0176 0.033
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.1042 1
Onchocerca volvulus 0.006 0.1042 0.0839
Echinococcus granulosus importin subunit beta 1 0.0024 0.0274 0.0512
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0724 0.0827
Brugia malayi jmjC domain containing protein 0.0026 0.0321 0.0367
Echinococcus multilocularis geminin 0.0187 0.3788 0.7095
Brugia malayi RNA, U transporter 1 0.0069 0.1239 0.1415
Onchocerca volvulus 0.0167 0.3357 0.3206
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0018 0.0135 0.0155
Loa Loa (eye worm) hypothetical protein 0.0298 0.6203 0.7085
Schistosoma mansoni sodium-bile acid cotransporter related 0.0068 0.1213 0.2272
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0018 0.0135 0.7687
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.1042 0.1951
Brugia malayi PHD-finger family protein 0.0022 0.0222 0.0253
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.1042 0.1951
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.1042 0.1951

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.
 
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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