Detailed information for compound 1712069

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.398 | Formula: C21H21N
  • H donors: 0 H acceptors: 0 LogP: 5.27 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1c1cc2C3CCC(c2c2c1ccn2C)C3
  • InChi: 1S/C21H21N/c1-13-5-3-4-6-16(13)19-12-18-14-7-8-15(11-14)20(18)21-17(19)9-10-22(21)2/h3-6,9-10,12,14-15H,7-8,11H2,1-2H3
  • InChiKey: ISRWIFCDUHHVOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0853 0.0853
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.1802 0.1802
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.2282 0.2282
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0039 0.2607 0.2607
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 1 1
Echinococcus multilocularis zinc finger protein 0.002 0.0103 0.0103
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.1802 0.1802
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.7624 0.7624
Loa Loa (eye worm) RNA binding protein 0.0076 0.7624 0.7624
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 1 1
Brugia malayi RNA binding protein 0.0076 0.7624 0.7624
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0016 0.0016
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7624 0.7624
Echinococcus multilocularis tar DNA binding protein 0.0076 0.7624 0.7624
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.5691 0.5691
Schistosoma mansoni hypothetical protein 0.0019 0.0016 0.0016
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0016 0.0016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0016 0.0016
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0853 1
Schistosoma mansoni hypothetical protein 0.0041 0.2944 0.2944
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0016 0.0016
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0853 1
Schistosoma mansoni hypothetical protein 0.0019 0.0016 0.0016
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0853 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.1802 0.1802
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2944 0.2944
Brugia malayi Bromodomain containing protein 0.0075 0.7489 0.7489
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.5466 0.5466
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.5691 0.5691
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.5691 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7624 0.7624
Loa Loa (eye worm) TAR-binding protein 0.0076 0.7624 0.7624
Schistosoma mansoni hypothetical protein 0.0019 0.0016 0.0016
Brugia malayi TAR-binding protein 0.0076 0.7624 0.7624
Loa Loa (eye worm) hypothetical protein 0.0025 0.0853 0.0853
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0243 0.0243
Brugia malayi PHD-finger family protein 0.0025 0.0813 0.0813
Loa Loa (eye worm) hypothetical protein 0.006 0.5466 0.5466
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 1 1
Echinococcus granulosus zinc finger protein 0.002 0.0103 0.0103
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0498 0.0498
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0498 0.0498
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5466 0.5466
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0016 0.0016
Echinococcus granulosus tar DNA binding protein 0.0076 0.7624 0.7624
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7624 0.7624
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0016 0.0016
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.5691 0.4744
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.2944 0.2944
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 1 1
Echinococcus granulosus GPCR family 2 0.0019 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0041 0.2923 0.2923
Schistosoma mansoni hypothetical protein 0.0021 0.0243 0.0243
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0498 0.0498
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0853 0.0853
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.7624 0.7624
Loa Loa (eye worm) hypothetical protein 0.0043 0.3177 0.3177
Schistosoma mansoni zinc finger protein 0.002 0.0103 0.0103
Brugia malayi hypothetical protein 0.0025 0.0853 0.0853
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0853 0.0853
Loa Loa (eye worm) hypothetical protein 0.0071 0.6919 0.6919
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 1 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.2282 0.2282
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0016 0.0016
Leishmania major hypothetical protein, conserved 0.0025 0.0853 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.545 0.545
Schistosoma mansoni bromodomain containing protein 0.0064 0.5927 0.5927
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7624 0.7624
Echinococcus multilocularis GPCR, family 2 0.0019 0.0016 0.0016
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.545 0.545
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0853 0.0853
Toxoplasma gondii hypothetical protein 0.0033 0.1802 0.1802
Schistosoma mansoni tar DNA-binding protein 0.0076 0.7624 0.7624
Schistosoma mansoni hypothetical protein 0.0019 0.0016 0.0016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5466 0.5466
Brugia malayi Bromodomain containing protein 0.0039 0.2598 0.2598
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.5691 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.