Detailed information for compound 1150901

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.411 | Formula: C18H25N3
  • H donors: 1 H acceptors: 1 LogP: 4.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1cccc(c1)N1CCC(CC1)Cc1c[nH]cn1)C
  • InChi: 1S/C18H25N3/c1-14(2)16-4-3-5-18(11-16)21-8-6-15(7-9-21)10-17-12-19-13-20-17/h3-5,11-15H,6-10H2,1-2H3,(H,19,20)
  • InChiKey: DCPNIDQZXCTZIV-UHFFFAOYSA-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 histamine receptor H3 Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0035 0.0508 0.0074
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.032 0.0485
Trypanosoma cruzi DNA damage repair protein, putative 0.004 0.0614 0.0452
Loa Loa (eye worm) MBCTL1 0.0062 0.1101 0.1667
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0128 0.2533 0.2533
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.3332 0.4323
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0645 0.0497
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Trypanosoma cruzi DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Loa Loa (eye worm) hypothetical protein 0.0025 0.0296 0.0449
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0614 0.0452
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.1141 0.3785
Onchocerca volvulus 0.0055 0.0936 0.09
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0936 0.049
Trypanosoma brucei DNA damage repair protein, putative 0.004 0.0614 0.0452
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0645 0.0052
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.1101 0.1101
Trypanosoma brucei DNA polymerase IV, putative 0.0152 0.3034 0.3899
Loa Loa (eye worm) hypothetical protein 0.0062 0.1101 0.1667
Echinococcus granulosus muscleblind protein 0.0304 0.6326 0.6326
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Echinococcus granulosus dna polymerase eta 0.0217 0.4447 0.4447
Mycobacterium ulcerans DNA polymerase IV 0.0159 0.3199 0.4319
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0936 0.1419
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.1047 0.1069
Echinococcus multilocularis dna polymerase eta 0.0217 0.4447 0.4447
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0136 0.2698 0.6642
Brugia malayi glutaminase DH11.1 0.0316 0.66 1
Leishmania major DNA polymerase eta, putative 0.0128 0.2528 0.3178
Trypanosoma brucei DNA damage repair protein, putative 0.004 0.0614 0.0452
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.1101 0.1101
Toxoplasma gondii hypothetical protein 0.0056 0.0971 0.3023
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0645 0.0834
Echinococcus multilocularis dna polymerase kappa 0.0159 0.3199 0.3199
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0614 0.0452
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.1101 0.1536
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0614 0.0452
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.128 0.1401
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0465 0.0465
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.4942 0.7487
Loa Loa (eye worm) glutaminase 2 0.0316 0.66 1
Onchocerca volvulus 0.0273 0.5657 1
Trypanosoma brucei chrX additional, unordered contigs 0.004 0.0614 0.0452
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.047 0.0712
Loa Loa (eye worm) glutaminase 0.0316 0.66 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Brugia malayi Cytochrome P450 family protein 0.0026 0.032 0.0335
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0645 0.0149
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.1835 0.2191
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0645 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0936 0.0936
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0128 0.2533 0.3838
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0349 0.7318 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0814 0.0738
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.1304 0.0875
Trypanosoma brucei unspecified product 0.0152 0.3034 0.3899
Leishmania major DNA damage repair protein, putative 0.004 0.0614 0.0452
Trypanosoma brucei unspecified product 0.0089 0.1669 0.1956
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0814 0.0738
Mycobacterium tuberculosis Conserved hypothetical protein 0.0128 0.2533 0.6107
Schistosoma mansoni hypothetical protein 0.0196 0.3996 0.37
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0224 0.4606 0.4606
Brugia malayi CXXC zinc finger family protein 0.0033 0.047 0.0565
Trypanosoma brucei DNA polymerase IV, putative 0.0159 0.3199 0.4134
Schistosoma mansoni hypothetical protein 0.0341 0.7142 0.7002
Trypanosoma cruzi DNA damage repair protein, putative 0.004 0.0614 0.0452
Giardia lamblia DINP protein human, muc B family 0.0136 0.2698 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0047 0.0779 0.2164
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0645 0.0645
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0645 0.0497
Echinococcus multilocularis muscleblind protein 0.0304 0.6326 0.6326
Loa Loa (eye worm) hypothetical protein 0.0304 0.6326 0.9585
Echinococcus granulosus dna polymerase kappa 0.0159 0.3199 0.3199
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0936 0.0936
Schistosoma mansoni glutaminase 0.0316 0.66 0.6433
Toxoplasma gondii exonuclease III APE 0.0041 0.0645 0.1562
Echinococcus multilocularis geminin 0.0196 0.3996 0.3996
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0349 0.7318 1
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0936 0.0936
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0936 0.0936
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0936 0.049
Trypanosoma cruzi DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Leishmania major DNA polymerase eta, putative 0.0217 0.4447 0.5911
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0349 0.7318 1
Trichomonas vaginalis set domain proteins, putative 0.0273 0.5657 0.8416
Plasmodium vivax DNA repair protein REV1, putative 0.004 0.0614 0.9112
Echinococcus multilocularis muscleblind protein 1 0.0304 0.6326 0.6326
Echinococcus granulosus geminin 0.0196 0.3996 0.3996
Brugia malayi Pre-SET motif family protein 0.0035 0.0508 0.0624
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0128 0.2533 0.2165
Loa Loa (eye worm) hypothetical protein 0.0304 0.6326 0.9585
Leishmania major DNA polymerase kappa, putative 0.004 0.0614 0.0452
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0159 0.3199 0.4289
Brugia malayi Pre-SET motif family protein 0.024 0.4942 0.7448
Trypanosoma brucei DNA polymerase IV, putative 0.0159 0.3199 0.4134
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0645 0.0977
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0508 0.0951
Loa Loa (eye worm) hypothetical protein 0.0055 0.0936 0.1419
Schistosoma mansoni hypothetical protein 0.0473 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0645 0.0497
Plasmodium vivax SET domain protein, putative 0.0035 0.0508 0.6084
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.128 0.1401
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0936 0.09
Schistosoma mansoni ap endonuclease 0.0041 0.0645 0.0184
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0814 0.0738
Plasmodium falciparum DNA repair protein REV1, putative 0.004 0.0614 0.9112
Schistosoma mansoni DNA polymerase IV / kappa 0.004 0.0614 0.0151
Loa Loa (eye worm) hypothetical protein 0.0217 0.4447 0.6738
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0645 0.0497
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.1101 0.1101
Schistosoma mansoni terminal deoxycytidyl transferase 0.0128 0.2533 0.2165
Schistosoma mansoni cpg binding protein 0.0035 0.0511 0.0043
Entamoeba histolytica deoxycytidyl transferase, putative 0.0128 0.2533 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0508 0.004
Brugia malayi Muscleblind-like protein 0.0304 0.6326 0.9578
Schistosoma mansoni DNA polymerase eta 0.0217 0.4447 0.4173
Trypanosoma cruzi DNA polymerase eta, putative 0.0217 0.4447 0.5911
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0508 0.004
Brugia malayi polk-prov protein 0.0071 0.128 0.1812
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0614 0.0452
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.1101 0.0662
Mycobacterium ulcerans hypothetical protein 0.0184 0.3737 0.5216
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0508 0.0508
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0224 0.4606 0.4606
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0508 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.1835 0.2191
Schistosoma mansoni hypothetical protein 0.0196 0.3996 0.37
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.1835 0.2191
Trichomonas vaginalis DNA polymerase eta, putative 0.0159 0.3199 0.4289
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0814 0.0738
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.3332 0.4323
Leishmania major DNA polymerase kappa, putative 0.0136 0.2698 0.3421
Brugia malayi hypothetical protein 0.0025 0.0296 0.0298
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0136 0.2698 0.3421
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0645 0.0645
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0645 1
Trichomonas vaginalis glutaminase, putative 0.0316 0.66 1
Brugia malayi mbt repeat family protein 0.0055 0.0936 0.1283
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0508 0.0508
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Mycobacterium ulcerans DNA polymerase IV 0.0159 0.3199 0.4319
Brugia malayi mbt repeat family protein 0.0055 0.0936 0.1283
Toxoplasma gondii ImpB/MucB/SamB family protein 0.004 0.0614 0.1424
Mycobacterium ulcerans glutaminase 0.0316 0.66 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Brugia malayi ImpB/MucB/SamB family protein 0.0217 0.4447 0.6686
Trypanosoma cruzi DNA polymerase eta, putative 0.0128 0.2528 0.3178
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0645 1
Trypanosoma brucei unspecified product 0.0089 0.1669 0.1956
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0508 0.0508
Trypanosoma brucei DNA polymerase kappa, putative 0.0136 0.2698 0.3421
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.1101 0.1101
Schistosoma mansoni cpg binding protein 0.0035 0.0511 0.0043
Loa Loa (eye worm) hypothetical protein 0.0071 0.128 0.1939
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0508 0.004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0508 0.077
Trypanosoma cruzi DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0165 0.3332 0.4323
Echinococcus multilocularis dnaJ subfamily B 0.0473 1 1
Echinococcus multilocularis cpg binding protein 0.0035 0.0511 0.0511
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Schistosoma mansoni ap endonuclease 0.0041 0.0645 0.0184
Leishmania major mitochondrial DNA polymerase beta 0.0349 0.7318 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0159 0.3199 0.4134
Brugia malayi ImpB/MucB/SamB family protein 0.0128 0.2533 0.374
Trypanosoma brucei DNA polymerase eta, putative 0.0217 0.4447 0.5911
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0128 0.2533 0.2533
Mycobacterium tuberculosis Conserved hypothetical protein 0.0184 0.3737 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0645 0.5
Echinococcus granulosus cpg binding protein 0.0035 0.0511 0.0511
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0128 0.2528 1
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0936 0.049

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.6 nM Antagonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of RAHM-induced [35S]GTPgammaS binding after 1 hr by liquid scintillation counting ChEMBL. 20541426
Inhibition (functional) = 80 % Antagonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of RAHM-induced [35S]GTPgammaS binding at 10 uM after 1 hr by liquid scintillation counting ChEMBL. 20541426
Ki (binding) = 1 nM Displacement of [3H] (R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation counting ChEMBL. 20541426

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

1 literature reference was collected for this gene.

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