Detailed information for compound 1076145

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.438 | Formula: C16H22N4S
  • H donors: 0 H acceptors: 2 LogP: 3.2 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)C1CCN(CC1)c1nc2c(s1)ccnc2
  • InChi: 1S/C16H22N4S/c1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h4,7,12-13H,1-3,5-6,8-11H2
  • InChiKey: CYASDRJNADLAFT-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Schistosoma mansoni hypothetical protein 0.0049 0.0635 0.0635
Echinococcus multilocularis CD36 class B scavenger receptor 0.012 0.1979 0.6682
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0163 0.1858
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0163 0.1858
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Leishmania major lanosterol 14-alpha-demethylase, putative 0.003 0.0291 0.3312
Echinococcus multilocularis CD36 class B scavenger receptor 0.012 0.1979 0.6682
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Loa Loa (eye worm) hypothetical protein 0.0049 0.0635 0.0635
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0051 0.0578
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0165 0.0558
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0339 0.8107
Loa Loa (eye worm) sugar transporter 0.0106 0.1719 0.1719
Echinococcus granulosus GPCR family 2 0.0049 0.0635 0.2144
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0051
Echinococcus multilocularis CD36 class B scavenger receptor 0.012 0.1979 0.6682
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.003 0.0291 0.3312
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.1719 0.1719
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.003 0.0291 0.0291
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.003 0.0291 0.3312
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0576 0.1945
Loa Loa (eye worm) hypothetical protein 0.0105 0.1698 0.1698
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0026 0.0206 0.0206
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0332 0.0404
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.012 0.1979 0.476
Brugia malayi Cam kinase protein 1 0.0033 0.0331 0.0331
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.003 0.0291 0.0291
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0278 0.0939
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0163 0.0163
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0332 0.0404
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.003 0.0291 0.0291
Trypanosoma brucei cytochrome P450, putative 0.003 0.0291 0.695
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0332 0.0617
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0332 0.0617
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0051
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Echinococcus granulosus single minded 2 0.0039 0.0446 0.1506
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Schistosoma mansoni protein kinase 0.0033 0.0331 0.0331
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.003 0.0291 0.3312
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.003 0.0291 0.695
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.003 0.0291 0.0291
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.003 0.0291 0.0291
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0372
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0878 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0032 0.0319 0.0319
Schistosoma mansoni CD36-like class B scavenger receptor 0.012 0.1979 0.1979
Brugia malayi hypothetical protein 0.0045 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0024 0.0165 0.0165
Leishmania major cytochrome p450-like protein 0.003 0.0291 0.3312
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0291 0.0291
Plasmodium vivax hexose transporter 0.0106 0.1719 0.2094
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Schistosoma mansoni aryl hydrocarbon receptor 0.0052 0.0701 0.0701
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0165 0.0165
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.003 0.0291 0.3312
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0635 0.2144
Brugia malayi Cytochrome P450 family protein 0.003 0.0291 0.0291
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.003 0.0291 0.0291
Brugia malayi hypothetical protein 0.0154 0.261 0.261
Loa Loa (eye worm) hypothetical protein 0.0024 0.0163 0.0163
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0332 0.0404
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0163 0.1858
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0372
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0163 0.0163
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0418 0.051
Echinococcus multilocularis General substrate transporter 0.0091 0.1437 0.4854
Echinococcus granulosus lysosome membrane protein 2 0.012 0.1979 0.6682
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0165 0.395
Loa Loa (eye worm) hypothetical protein 0.0024 0.0163 0.0163
Mycobacterium ulcerans hypothetical protein 0.0024 0.0163 0.0163
Echinococcus granulosus CD36 class B scavenger receptor 0.012 0.1979 0.6682
Toxoplasma gondii cytochrome p450 superfamily protein 0.003 0.0291 0.0541
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0331 0.7919
Brugia malayi Pre-SET motif family protein 0.0207 0.3618 0.3618
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.003 0.0291 0.0291
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0165 0.1882
Leishmania major glucose transporter, lmgt2 0.0033 0.0339 0.3863
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0012 0.0297
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.003 0.0291 0.695
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0418 0.4766
Entamoeba histolytica protein kinase, putative 0.0033 0.0331 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0278 0.0278
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0012 0.0297
Toxoplasma gondii protein kinase, putative 0.03 0.5369 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0163 0.1858
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0339 0.0339
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0278 0.0278
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0051 0.0051
Echinococcus multilocularis lysosome membrane protein 2 0.012 0.1979 0.6682
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.003 0.0291 0.0291
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0418 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0106 0.1719 0.3201
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0051
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.003 0.0291 0.3312
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0635 0.2144
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0163 0.0163
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.003 0.0291 0.3312
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0319 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.003 0.0291 0.3312
Trypanosoma cruzi cytochrome p450-like protein, putative 0.003 0.0291 0.695
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0418 1
Schistosoma mansoni hypothetical protein 0.003 0.0291 0.0291
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0319 1
Schistosoma mansoni hypothetical protein 0.0049 0.0635 0.0635
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.003 0.0291 0.0291
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.003 0.0291 0.3312
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0165 0.0165
Entamoeba histolytica protein kinase, putative 0.0033 0.0331 1
Schistosoma mansoni hypothetical protein 0.0172 0.2961 0.2961
Echinococcus multilocularis CD36 class B scavenger receptor 0.012 0.1979 0.6682
Brugia malayi Pre-SET motif family protein 0.003 0.0278 0.0278
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0331 0.0331
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0332 0.0404
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0332 0.0404
Echinococcus granulosus geminin 0.0172 0.2961 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0278 0.0939
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0165 0.0165
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0165 0.0165
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0165 0.0308
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.1698 0.1698
Brugia malayi Sugar transporter family protein 0.0106 0.1719 0.1719
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0339 0.0339
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0012 0.0297
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0165 0.0201
Plasmodium falciparum hexose transporter 0.0106 0.1719 0.2094
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0339 0.8107
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0291 0.695
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0331 0.0331
Onchocerca volvulus 0.0024 0.0163 0.0392
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0163 0.0163
Brugia malayi PAS domain containing protein 0.0052 0.0701 0.0701
Echinococcus granulosus CD36 class B scavenger receptor 0.012 0.1979 0.6682
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0339 0.0339
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.003 0.0291 0.3312
Brugia malayi CD36 family protein 0.012 0.1979 0.1979
Entamoeba histolytica hypothetical protein 0.0024 0.0165 0.0128
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.003 0.0291 0.3312
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.012 0.1979 0.1979
Leishmania major protein kinase, putative 0.0016 0.0012 0.0141
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Schistosoma mansoni single-minded 0.0052 0.0701 0.0701
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0332 0.0404
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0163 0.0163
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0319 0.1076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0576 0.1945
Schistosoma mansoni hypothetical protein 0.0172 0.2961 0.2961
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0319 0.0319
Schistosoma mansoni hypothetical protein 0.0049 0.0635 0.0635
Leishmania major glucose transporter, lmgt1 0.0033 0.0339 0.3863
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.003 0.0291 0.0291
Brugia malayi Cytochrome P450 family protein 0.003 0.0291 0.0291
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0576 0.1945
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.003 0.0291 0.0291
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0878 0.2963
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0012 0.0297
Loa Loa (eye worm) hypothetical protein 0.0154 0.2614 0.2614
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0446 0.0446
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Echinococcus multilocularis GPCR, family 2 0.0049 0.0635 0.2144
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0319 0.9263
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0332 0.0617
Schistosoma mansoni cytochrome P450 0.003 0.0291 0.0291
Leishmania major glucose transporter, lmgt3 0.0033 0.0339 0.3863
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.08 0.08
Echinococcus granulosus CD36 class B scavenger receptor 0.012 0.1979 0.6682
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.3618 0.3618
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0163 0.2949
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0106 0.1719 0.5804
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0331 0.0331
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.003 0.0291 0.3312
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0278 0.0939
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0165 0.0558
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0446 0.1506
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.003 0.0291 0.3312
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0372
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.003 0.0291 0.0291
Loa Loa (eye worm) cytochrome P450 0.003 0.0291 0.0291
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0278 0.0278
Echinococcus multilocularis CD36 class B scavenger receptor 0.012 0.1979 0.6682
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0175 0.3015 0.3015
Trypanosoma brucei glucose transporter 1E 0.0033 0.0339 0.8107
Loa Loa (eye worm) hypothetical protein 0.0154 0.261 0.261
Echinococcus granulosus CD36 class B scavenger receptor 0.012 0.1979 0.6682
Leishmania major protein kinase, putative 0.0016 0.0012 0.0141
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0163 0.0163
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.0291 0.0291
Loa Loa (eye worm) CYP4Cod1 0.003 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0032 0.0319 0.0319
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.2614 0.2614
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0165 0.0165
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0331 0.0331
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.003 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0033 0.0331 0.0331
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.003 0.0291 0.695
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.003 0.0291 0.3312
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0278 0.0278
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Schistosoma mansoni CD36-like class B scavenger receptor 0.012 0.1979 0.1979
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0163 0.0163
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0163 0.0163
Brugia malayi cytochrome P450 0.003 0.0291 0.0291
Trichomonas vaginalis set domain proteins, putative 0.0236 0.4157 0.4157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0024 0.0163 0.0163
Schistosoma mansoni cd36 antigen 0.0045 0.0572 0.0572
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0319 0.0319
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0319 0.0319
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0878 0.2963
Loa Loa (eye worm) cytochrome P450 family protein 0.0112 0.1832 0.1832
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0058 0.1383
Loa Loa (eye worm) hypothetical protein 0.0045 0.0572 0.0572
Brugia malayi hypothetical protein 0.0045 0.0572 0.0572
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0319 0.0319
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.003 0.0291 0.3312
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0319 0.0319
Echinococcus granulosus cytochrome P450 2K1 0.003 0.0291 0.0981
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0878 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0576 0.0576
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0446 0.0446
Echinococcus multilocularis geminin 0.0172 0.2961 1
Brugia malayi hypothetical protein 0.0175 0.3015 0.3015
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0339 0.8107
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0051 0.0062
Schistosoma mansoni protein kinase 0.0033 0.0331 0.0331
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0051 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0576 0.0576
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0372
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0576 0.0576
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0332 0.0404
Plasmodium vivax SET domain protein, putative 0.003 0.0278 0.0339
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.003 0.0291 0.0291
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0172 0.295 0.3595
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0878 0.0878
Leishmania major protein kinase, putative 0.0033 0.0331 0.3774
Onchocerca volvulus 0.003 0.0278 0.0669
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0418 0.051
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0576 0.0576
Trypanosoma cruzi hexose transporter 0.0033 0.0339 0.8107
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.2614 0.2614
Schistosoma mansoni glucose transport protein 0.0106 0.1719 0.1719
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0163 0.1858
Loa Loa (eye worm) hypothetical protein 0.012 0.1979 0.1979
Plasmodium falciparum protein kinase 7 0.03 0.5369 0.6542
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0258 0.087
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0331 0.0331
Leishmania major cytochrome p450-like protein 0.003 0.0291 0.3312
Schistosoma mansoni hypothetical protein 0.0106 0.1719 0.1719
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0293 0.099
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0163 0.2949
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0339 0.8107
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0098 0.1116
Onchocerca volvulus 0.0039 0.0446 0.1073
Schistosoma mansoni glucose transport protein 0.0106 0.1719 0.1719
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.003 0.0291 0.3312
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0098 0.1116
Schistosoma mansoni glucose transport protein 0.0106 0.1719 0.1719
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0418 0.0779
Onchocerca volvulus 0.0236 0.4157 1
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0165 1
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0293 0.099
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0576 0.1945
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0339 0.3863
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.011 0.011
Echinococcus multilocularis 0.003 0.0291 0.0981
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.003 0.0291 0.0291
Plasmodium vivax CDK-related protein kinase 6, putative 0.0451 0.8206 1
Schistosoma mansoni hypothetical protein 0.0105 0.1698 0.1698
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.003 0.0291 0.3312
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0339 0.0339
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.003 0.0291 0.0291
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0165 0.0165
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0331 0.1118
Leishmania major cytochrome p450-like protein 0.003 0.0291 0.3312
Echinococcus granulosus General substrate transporter 0.0091 0.1437 0.4854
Brugia malayi Cytochrome P450 family protein 0.003 0.0291 0.0291
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.003 0.0291 0.3312
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0878 0.0878
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0319 0.1076
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.012 0.1979 0.1979
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0163 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0576 0.0576
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0339 0.0339
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0635 0.0635
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.003 0.0291 0.3312
Plasmodium falciparum mitogen-activated protein kinase 2 0.0172 0.295 0.3595
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0045 0.0572 0.0572
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0635 0.2144
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0878 0.0878
Mycobacterium leprae Conserved hypothetical protein 0.003 0.0291 0.8727
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0332 0.0404
Mycobacterium leprae putative cytochrome p450 0.003 0.0291 0.8727
Schistosoma mansoni hypothetical protein 0.0049 0.0635 0.0635
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.2614 0.2614
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0418 0.4766
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0331 0.1118
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0418 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0339 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1719 0.5804
Echinococcus granulosus CD36 class B scavenger receptor 0.012 0.1979 0.6682
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0051
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0165 0.395
Plasmodium falciparum protein kinase 6 0.0451 0.8206 1
Brugia malayi Cytochrome P450 family protein 0.0112 0.1832 0.1832
Trypanosoma brucei glucose transporter, putative 0.0033 0.0339 0.8107
Loa Loa (eye worm) hypothetical protein 0.0045 0.0572 0.0572
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0339 0.8107
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0165 0.0201
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.003 0.0291 0.0291
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.003 0.0291 0.3312
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0291 0.695
Brugia malayi hypoxia-induced factor 1 0.0162 0.276 0.276
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0278 0.0518
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.003 0.0291 0.0291
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0172 0.295 0.5495
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0165 0.5182
Onchocerca volvulus 0.0154 0.261 0.6279
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0291 0.0291
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0635 0.2144
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0339 0.0339
Schistosoma mansoni protein kinase 0.0033 0.0331 0.0331
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0332 0.0404
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.003 0.0291 0.3312
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0165 0.3046
Loa Loa (eye worm) hypothetical protein 0.012 0.1979 0.1979
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.003 0.0291 0.0291
Trypanosoma brucei glucose transporter 2A 0.0033 0.0339 0.8107
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.003 0.0291 0.0291
Loa Loa (eye worm) hypoxia-induced factor 1 0.0162 0.276 0.276

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 128 nM Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells ChEMBL. 19773164

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.

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