Detailed information for compound 1051806

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.441 | Formula: C21H23N5
  • H donors: 3 H acceptors: 1 LogP: 3.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1c[nH]cn1
  • InChi: 1S/C21H23N5/c22-21(24-13-7-12-19-14-23-16-26-19)25-15-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16H,7,12-13H2,(H,23,26)(H3,22,24,25)
  • InChiKey: LLFVTPXUSSZUQB-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
Homo sapiens histamine receptor H3 Starlite/ChEMBL References
Homo sapiens histamine receptor H4 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
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0169 0.1342
Echinococcus granulosus neuropeptide receptor A26 0.055 0.5703 0.6714
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Onchocerca volvulus 0.009 0.0818 0.2346
Schistosoma mansoni hypothetical protein 0.0388 0.3983 0.4689
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0517 0.5358 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0288 0.0425
Echinococcus multilocularis ornithine aminotransferase 0.0074 0.0641 0.064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0074
Echinococcus multilocularis ornithine aminotransferase 0.0074 0.0641 0.064
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0077 0.0026
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0261 0.0902
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0427 0.0502
Echinococcus multilocularis dna polymerase eta 0.0019 0.0063 0.0062
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.2596 0.4783
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0074 0.0641 0.0697
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0427 0.0502
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0427 0.1595
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0029 0.0169 0.0168
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0024 0.0111 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Brugia malayi Augmenter of liver regeneration 0.0034 0.0222 0.0739
Mycobacterium ulcerans L-lysine aminotransferase 0.0074 0.0641 0.1092
Brugia malayi Fli-1 protein 0.0243 0.2437 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0063 0.0062
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0169 0.1342
Plasmodium falciparum ornithine aminotransferase 0.0074 0.0641 1
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0288 0.0425
Loa Loa (eye worm) histone methyltransferase 0.0029 0.0169 0.0518
Onchocerca volvulus 0.004 0.0288 0.0204
Mycobacterium tuberculosis Conserved protein 0.004 0.0288 0.0425
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0902
Echinococcus multilocularis GA binding protein alpha chain 0.008 0.0709 0.0708
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.0222 0.0221
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Schistosoma mansoni flap endonuclease-1 0.0026 0.014 0.0163
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0506 0.1924
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0175 0.2045
Schistosoma mansoni hypothetical protein 0.0388 0.3983 0.4689
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0175 0.1411
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0192 0.1905 0.2242
Schistosoma mansoni DNA polymerase eta 0.0019 0.0063 0.0073
Loa Loa (eye worm) fli-1 protein 0.0243 0.2437 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0074 0.0641 0.1092
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0529 0.0622
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0288 0.1014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0077 0.0026
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0175 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Trichomonas vaginalis set domain proteins, putative 0.0268 0.2712 0.5002
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0288 0.0425
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0175 0.1411
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.008 0.0709 0.2773
Brugia malayi Flap endonuclease-1 0.0029 0.0169 0.0518
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0447 0.1678
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0237 0.0278
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0045 0.0044
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0175 0.0116
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0529 0.0528
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0222 0.2008
Mycobacterium tuberculosis Probable aminotransferase 0.0517 0.5358 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0447 0.1678
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0237 0.0278
Loa Loa (eye worm) hypothetical protein 0.003 0.0175 0.0541
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0288 0.0425
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0288 0.2837
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0506 0.0505
Loa Loa (eye worm) hypothetical protein 0.0061 0.0506 0.1924
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0045 0.0044
Loa Loa (eye worm) RNA binding protein 0.0063 0.0529 0.2022
Loa Loa (eye worm) hypothetical protein 0.0053 0.0427 0.1595
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0169 0.1342
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Echinococcus granulosus neuropeptide s receptor 0.055 0.5703 0.6714
Loa Loa (eye worm) beta-lactamase 0.004 0.0288 0.1014
Leishmania major hypothetical protein, conserved 0.003 0.0175 0.1411
Schistosoma mansoni cpg binding protein 0.0095 0.0873 0.1026
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0288 0.1014
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0074 0.0641 0.1092
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0024 0.0111 0.0129
Schistosoma mansoni ets-related 0.0243 0.2437 0.2868
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0517 0.5358 1
Echinococcus multilocularis cpg binding protein 0.0095 0.0873 0.0872
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0074 0.0641 0.5
Schistosoma mansoni cpg binding protein 0.009 0.0818 0.0962
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0077 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Loa Loa (eye worm) hypothetical protein 0.0068 0.0585 0.2258
Echinococcus multilocularis geminin 0.0388 0.3983 0.3982
Plasmodium vivax SET domain protein, putative 0.0036 0.0237 0.1441
Schistosoma mansoni kinase 0.0048 0.0366 0.0429
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0447 0.1678
Brugia malayi beta-lactamase family protein 0.004 0.0288 0.1014
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0506 0.0594
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0517 0.5358 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0074 0.0641 0.0754
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0288 0.0425
Echinococcus multilocularis dnaJ subfamily B 0.0813 0.8494 0.8494
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0529 0.2022
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0074 0.0641 0.5
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0074 0.0641 0.1092
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0074 0.0641 0.0697
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0063 0.0074
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0506 0.0594
Trichomonas vaginalis esterase, putative 0.004 0.0288 0.0425
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0288 0.0338
Schistosoma mansoni hypothetical protein 0.0017 0.0045 0.0052
Toxoplasma gondii histone lysine methyltransferase SET1 0.0172 0.1688 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0045 0.0052
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0222 0.2598
Echinococcus multilocularis Aminotransferase class III 0.0074 0.0641 0.064
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0063 0.0073
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.021 0.2095 0.2094
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0427 0.0426
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0222 0.2008
Trypanosoma brucei polo-like protein kinase 0.0094 0.0855 1
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0427 0.0426
Echinococcus granulosus Aminotransferase class III 0.0074 0.0641 0.0754
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0855 0.3387
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0203 0.0238
Brugia malayi beta-lactamase 0.004 0.0288 0.1014
Schistosoma mansoni gabp alpha 0.008 0.0709 0.0833
Echinococcus multilocularis neuropeptide receptor A26 0.055 0.5703 0.5703
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0222 0.1119
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0063 0.0738
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0024 0.0111 0.011
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.0222 0.026
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0288 0.0425
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0024 0.0111 0.011
Echinococcus granulosus endonuclease exonuclease phosphatase 0.021 0.2095 0.2466
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0517 0.5358 1
Onchocerca volvulus 0.0268 0.2712 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0506 0.0505
Leishmania major hypothetical protein, conserved 0.0034 0.0222 0.2008
Mycobacterium ulcerans beta-lactamase 0.004 0.0288 0.0425
Brugia malayi Ets-domain containing protein 0.008 0.0709 0.2773
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0855 0.0854
Onchocerca volvulus 0.004 0.0288 0.0204
Schistosoma mansoni hypothetical protein 0.0017 0.0045 0.0052
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0169 0.1981
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0237 0.0236
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0074 0.0641 0.2492
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2368 0.9712
Echinococcus granulosus tar DNA binding protein 0.0063 0.0529 0.0622
Echinococcus granulosus dna polymerase kappa 0.0019 0.0063 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Trypanosoma brucei unspecified product 0.0019 0.0063 0.0738
Mycobacterium ulcerans lipase LipD 0.004 0.0288 0.0425
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0288 0.3366
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0237 0.0278
Brugia malayi F/Y-rich N-terminus family protein 0.0029 0.0165 0.0502
Loa Loa (eye worm) MBCTL1 0.0061 0.0506 0.1924
Brugia malayi Pre-SET motif family protein 0.0036 0.0237 0.0803
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0855 0.1006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0237 0.0278
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Brugia malayi hypothetical protein 0.0019 0.0063 0.0074
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0074 0.0641 0.0697
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0288 0.2837
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0288 0.0338
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0063 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Onchocerca volvulus 0.004 0.0288 0.0204
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0427 0.0766
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0288 0.0425
Echinococcus granulosus GPCR family 2 0.0017 0.0045 0.0052
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0288 0.0287
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0175 0.0116
Loa Loa (eye worm) CXXC zinc finger family protein 0.009 0.0818 0.323
Brugia malayi mbt repeat family protein 0.0053 0.0427 0.1595
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.1014
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0169 0.0201
Echinococcus granulosus GA binding protein alpha chain 0.008 0.0709 0.0833
Brugia malayi Pre-SET motif family protein 0.0236 0.2368 0.9712
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0045 0.0052
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0222 0.0348
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0074 0.0641 0.1092
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0427 0.0502
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0353 0.0547
Schistosoma mansoni hypothetical protein 0.0325 0.3308 0.3894
Echinococcus granulosus ornithine aminotransferase 0.0074 0.0641 0.0754
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0288 0.0425
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0222 0.2008
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0529 0.0622
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.1014
Onchocerca volvulus 0.0053 0.0427 0.0766
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0529 0.0622
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0529 0.2022
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0353 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0063 0.0074
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0855 0.2498
Brugia malayi CXXC zinc finger family protein 0.009 0.0818 0.323
Trichomonas vaginalis helicase, putative 0.002 0.0077 0.0026
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0169 0.1342
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0855 0.3387
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0074 0.0641 0.1092
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Echinococcus granulosus cpg binding protein 0.0095 0.0873 0.1026
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Echinococcus granulosus geminin 0.0388 0.3983 0.4689
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0288 0.0425
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0529 0.2022
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0237 0.0236
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0222 0.1119
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0855 1
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0427 0.0502
Schistosoma mansoni cpg binding protein 0.0095 0.0873 0.1026
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.1014
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0074 0.0641 0.1092
Brugia malayi Ets-domain containing protein 0.008 0.0709 0.2773
Echinococcus granulosus mixed lineage leukemia protein mll 0.0024 0.0111 0.0129
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0077 0.0026
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0077 0.0026
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0529 0.0622
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0288 0.0425
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0288 0.0425
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0077 0.0026
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0063 0.0073
Echinococcus multilocularis GPCR, family 2 0.0017 0.0045 0.0044
Mycobacterium tuberculosis Conserved protein 0.004 0.0288 0.0425
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0288 0.0425
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0288 0.0425
Brugia malayi hypothetical protein 0.003 0.0175 0.0541
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.0222 0.0739
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0288 0.0338
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Giardia lamblia Kinase, PLK 0.0094 0.0855 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0529 0.0622
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0738
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0063 0.0738
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0855 0.1006
Mycobacterium tuberculosis Conserved protein 0.004 0.0288 0.0425
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0074 0.0641 0.1092
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0169 0.0168
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0063 0.0738
Echinococcus multilocularis neuropeptide s receptor 0.055 0.5703 0.5703
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0288 0.0425
Schistosoma mansoni hypothetical protein 0.0813 0.8494 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0506 0.0594
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0855 1
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0169 0.0518
Plasmodium vivax ornithine aminotransferase, putative 0.0074 0.0641 1
Echinococcus granulosus flap endonuclease 1 0.0029 0.0169 0.0198
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0855 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0237 0.0448
Plasmodium vivax hypothetical protein, conserved 0.004 0.0288 0.2511
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.1014
Toxoplasma gondii ABC1 family protein 0.004 0.0288 0.078
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0222 0.0348
Schistosoma mansoni hypothetical protein 0.0038 0.0261 0.0306
Brugia malayi TAR-binding protein 0.0063 0.0529 0.2022
Mycobacterium ulcerans acetylornithine aminotransferase 0.0074 0.0641 0.1092
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0063 0.0073
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0074 0.0641 0.1092
Echinococcus granulosus dna polymerase eta 0.0019 0.0063 0.0073
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0074 0.0641 0.3108
Echinococcus granulosus dnaJ subfamily B 0.0813 0.8494 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0855 0.1496
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0077 0.0026
Loa Loa (eye worm) hypothetical protein 0.0036 0.0237 0.0803
Schistosoma mansoni hypothetical protein 0.0017 0.0045 0.0052
Schistosoma mansoni hypothetical protein 0.0017 0.0045 0.0052
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0175 0.0036
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0855 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.1014
Brugia malayi RNA binding protein 0.0063 0.0529 0.2022
Mycobacterium ulcerans hypothetical protein 0.004 0.0288 0.0425
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0029 0.0169 0.0198
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0077 0.0026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.001 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0077 0.0026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0237 0.0278
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0063 0.0738
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0063 0.0062
Mycobacterium ulcerans hypothetical protein 0.0517 0.5358 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0447 0.1678
Brugia malayi mbt repeat family protein 0.0053 0.0427 0.1595
Brugia malayi beta-lactamase family protein 0.004 0.0288 0.1014
Loa Loa (eye worm) hypothetical protein 0.004 0.0288 0.1014
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0427 0.0502
Leishmania major hypothetical protein, conserved 0.004 0.0288 0.2837

Activities

Activity type Activity value Assay description Source Reference
Intrinsic activity (functional) Intrinsic activity at human histamine H4 receptor expressed in human SK-N-MC cells assessed as inhibition of forskolin-induced cAMP responsive element-beta-galactosidase activity after 6 hrs by colorimetric cAMP assay ChEMBL. 19414267
Ki (binding) = 6.5 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting ChEMBL. 19414267
Ki (binding) = 6.8 Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting ChEMBL. 19414267

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.