Detailed information for compound 72800

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.36 | Formula: C22H15NO2
  • H donors: 2 H acceptors: 3 LogP: 4.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C1=C(c2ccc(cc2)O)c2c(C1)cc(cc2)O
  • InChi: 1S/C22H15NO2/c23-13-14-1-3-15(4-2-14)21-12-17-11-19(25)9-10-20(17)22(21)16-5-7-18(24)8-6-16/h1-11,24-25H,12H2
  • InChiKey: SNNGUJCURSLZOL-UHFFFAOYSA-N  

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
Onchocerca volvulus Cathepsin L homolog 0.0084 0.0703 0.4611
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0887 1 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0158 0.1552 1
Brugia malayi Cathepsin L-like precursor 0.0084 0.0703 0.1422
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Schistosoma mansoni hypothetical protein 0.0034 0.0125 0.0252
Plasmodium vivax vivapain-2 0.0084 0.0703 1
Echinococcus granulosus cysteine protease 0.005 0.0304 0.0554
Loa Loa (eye worm) fibroinase 0.0084 0.0703 0.0703
Plasmodium falciparum cysteine proteinase falcipain 3 0.0084 0.0703 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0084 0.0703 0.1367
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0032 0.0064
Brugia malayi Papain family cysteine protease containing protein 0.0084 0.0703 0.1422
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0451 0.4947 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0084 0.0703 0.4419
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Loa Loa (eye worm) cathepsin B 0.0158 0.1552 0.1552
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0084 0.0703 1
Echinococcus granulosus cathepsin b 0.0451 0.4947 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0309 0.0624
Brugia malayi Cathepsin L-like precursor 0.0061 0.0431 0.0871
Echinococcus multilocularis cathepsin L 0.005 0.0304 0.0554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0061 0.0431 0.2627
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0026 0.0032 0.0451
Onchocerca volvulus Cathepsin F homolog 0.0084 0.0703 0.4611
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.005 0.0304 0.0615
Toxoplasma gondii hypothetical protein 0.0887 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0451 0.4947 1
Loa Loa (eye worm) hypothetical protein 0.0887 1 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0026 0.0032 0.0451
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0026 0.0032 0.0064
Brugia malayi Cathepsin L-like cysteine proteinase 0.0061 0.0431 0.0871
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0125 0.0252
Onchocerca volvulus 0.0061 0.0431 0.2742
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0026 0.0032 0.0451
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0026 0.0032 0.0451
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0026 0.0032 0.0064
Brugia malayi cathepsin F-like cysteine proteinase 0.0026 0.0032 0.0064
Trypanosoma cruzi cruzipain precursor, putative 0.0084 0.0703 0.1422
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0026 0.0032 0.0451
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0158 0.1552 0.3137
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0032 0.0032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Entamoeba histolytica cysteine proteinase 1, putative 0.005 0.0304 0.4054
Giardia lamblia Cathepsin B precursor 0.0158 0.1552 1
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0304 0.4054
Echinococcus granulosus cathepsin b 0.0451 0.4947 1
Brugia malayi hypothetical protein 0.0152 0.1488 0.3009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0304 0.1791
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0032 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Entamoeba histolytica cysteine protease, putative 0.0084 0.0703 1
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Toxoplasma gondii cathepsin CPL 0.0084 0.0703 0.0674
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0158 0.1552 1
Giardia lamblia Cathepsin B precursor 0.0158 0.1552 1
Onchocerca volvulus 0.0084 0.0703 0.4611
Toxoplasma gondii cathepsin B 0.0158 0.1552 0.1525
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.0703 0.1422
Onchocerca volvulus 0.0084 0.0703 0.4611
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.005 0.0304 0.0615
Loa Loa (eye worm) hypothetical protein 0.0887 1 1
Onchocerca volvulus 0.0084 0.0703 0.4611
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.005 0.0304 0.0615
Echinococcus granulosus cathepsin l cysteine peptidase 0.0084 0.0703 0.1367
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0158 0.1552 0.3137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Echinococcus granulosus cathepsin L cysteine proteinase 0.0084 0.0703 0.1367
Trypanosoma brucei cysteine peptidase C (CPC) 0.0158 0.1552 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0084 0.0703 0.1367
Loa Loa (eye worm) hypothetical protein 0.0084 0.0703 0.0703
Echinococcus multilocularis cathepsin L cysteine protease 0.0084 0.0703 0.1367
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0084 0.0703 0.1367
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Echinococcus multilocularis cysteine protease 0.0084 0.0703 0.1367
Echinococcus granulosus cathepsin l1 0.0061 0.0431 0.0813
Trypanosoma cruzi cysteine protease, putative 0.005 0.0304 0.0615
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0032 0.0064
Plasmodium vivax vivapain-3 0.005 0.0304 0.4322
Loa Loa (eye worm) hypothetical protein 0.0451 0.4947 0.4947
Loa Loa (eye worm) hypothetical protein 0.005 0.0309 0.0309
Trypanosoma cruzi cysteine proteinase, putative 0.005 0.0304 0.0615
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Schistosoma mansoni cathepsin F (C01 family) 0.0061 0.0431 0.0871
Brugia malayi Cathepsin L-like precursor 0.0084 0.0703 0.1422
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0026 0.0032 0.0451
Brugia malayi Papain family cysteine protease containing protein 0.005 0.0304 0.0615
Loa Loa (eye worm) hypothetical protein 0.0061 0.0431 0.0431
Plasmodium vivax unspecified product 0.005 0.0304 0.4322
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0032 0.0064
Schistosoma mansoni cathepsin C 0.0026 0.0032 0.0064
Brugia malayi Cathepsin L-like precursor 0.0084 0.0703 0.1422
Echinococcus granulosus cathepsin l1 0.0084 0.0703 0.1367
Echinococcus multilocularis cysteine protease 0.0084 0.0703 0.1367
Onchocerca volvulus 0.0084 0.0703 0.4611
Brugia malayi cathepsin L-like precursor 0.0061 0.0431 0.0871
Schistosoma mansoni cathepsin S (C01 family) 0.0026 0.0032 0.0064
Brugia malayi Cathepsin L-like precursor 0.0061 0.0431 0.0871
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0304 0.0615
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0026 0.0032 0.0064
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0304 0.1791
Plasmodium falciparum cysteine proteinase falcipain 1 0.005 0.0304 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.0703 1
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0026 0.0032 0.0064
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0703 0.1422
Loa Loa (eye worm) hypothetical protein 0.0034 0.0125 0.0125
Brugia malayi cathepsin Z-like cysteine proteinase 0.0026 0.0032 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0026 0.0032 0.0451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0061 0.0431 0.2627
Onchocerca volvulus 0.0084 0.0703 0.4611
Echinococcus multilocularis cathepsin b 0.0451 0.4947 1
Brugia malayi Papain family cysteine protease containing protein 0.005 0.0304 0.0615
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0084 0.0703 0.4419
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0026 0.0032 0.0451
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Loa Loa (eye worm) cysteine protease 0.0084 0.0703 0.0703
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0032 0.0064
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0084 0.0703 0.0703
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Brugia malayi cathepsin Z-like cysteine proteinase 0.0026 0.0032 0.0064
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.0703 1
Echinococcus granulosus cathepsin L 0.005 0.0304 0.0554
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0026 0.0032 0.0032
Plasmodium vivax unspecified product 0.0026 0.0032 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0026 0.0032 0.0451
Plasmodium vivax vivapain-2 0.0084 0.0703 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0451 0.4947 1
Giardia lamblia Cathepsin B precursor 0.0158 0.1552 1
Brugia malayi cathepsin L precursor 0.0026 0.0032 0.0064
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0703 0.1422
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0304 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0703 0.4419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0309 0.0624
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.0703 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0304 0.4054
Onchocerca volvulus 0.0084 0.0703 0.4611
Echinococcus granulosus cathepsin L cysteine protease 0.005 0.0304 0.0554
Onchocerca volvulus 0.0152 0.1488 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Plasmodium vivax serine-repeat antigen (SERA) 0.0026 0.0032 0.0451
Loa Loa (eye worm) hypothetical protein 0.0061 0.0431 0.0431
Onchocerca volvulus 0.0084 0.0703 0.4611
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Plasmodium vivax vivapain-1 0.005 0.0304 0.4322
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0304 0.4054
Loa Loa (eye worm) hypothetical protein 0.0061 0.0431 0.0431
Entamoeba histolytica cysteine proteinase 2 0.005 0.0304 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0451 0.4947 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.005 0.0304 0.0615
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0032 0.0064
Brugia malayi cathepsin L-like cysteine proteinase 0.0026 0.0032 0.0064
Entamoeba histolytica cysteine proteinase, putative 0.0061 0.0431 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0703 0.1422
Onchocerca volvulus Cathepsin L homolog 0.0084 0.0703 0.4611
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.005 0.0304 0.0615
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0451 0.4947 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0026 0.0032 0.0451
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0026 0.0032 0.0064
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0084 0.0703 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Loa Loa (eye worm) ctsf protein 0.0084 0.0703 0.0703
Brugia malayi Cathepsin L-like precursor 0.0084 0.0703 0.1422
Brugia malayi Cathepsin L-like precursor 0.0084 0.0703 0.1422
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0451 0.4947 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0032 0.0032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0026 0.0032 0.0064
Brugia malayi Cathepsin L-like precursor 0.0084 0.0703 0.1422
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.0431 0.0871
Echinococcus multilocularis cathepsin b 0.0451 0.4947 1
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0703 0.1422
Loa Loa (eye worm) hypothetical protein 0.0152 0.1488 0.1488
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0026 0.0032 0.0451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0084 0.0703 0.0703
Trypanosoma cruzi major cysteine proteinase, putative 0.0026 0.0032 0.0064
Schistosoma mansoni cathepsin B (C01 family) 0.0026 0.0032 0.0064
Brugia malayi fibroinase precursor 0.0026 0.0032 0.0064
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0703 0.4419
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0032 0.0064
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0032 0.0064
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0703 0.3201
Entamoeba histolytica cysteine protease, putative 0.005 0.0304 0.4054

Activities

Activity type Activity value Assay description Source Reference
RBA (binding) = 1 % Displacement of [3H]-estradiol from estrogen receptor of rat uterine cytosol ChEMBL. 3411601
RBA (binding) = 1 % Displacement of [3H]-estradiol from estrogen receptor of rat uterine cytosol ChEMBL. 3411601

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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