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

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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