Detailed information for compound 1089488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.411 | Formula: C17H23N7
  • H donors: 3 H acceptors: 3 LogP: 1.82 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/N=C(\NCCCc1ccccn1)/NCCCCc1nc[nH]c1
  • InChi: 1S/C17H23N7/c18-13-23-17(21-10-4-2-7-16-12-19-14-24-16)22-11-5-8-15-6-1-3-9-20-15/h1,3,6,9,12,14H,2,4-5,7-8,10-11H2,(H,19,24)(H2,21,22,23)
  • InChiKey: PGKDLJHDJQXSHU-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 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
Brugia malayi hypothetical protein 0.0298 0.3487 0.5184
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.052 0.6972
Entamoeba histolytica acyl-coA synthetase, putative 0.0071 0.0739 0.2082
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0627 0.0913
Giardia lamblia DINP protein human, muc B family 0.0038 0.0333 0.3064
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3898 0.8566
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.019 0.1685
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0328 0.6195
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.0127 0.0132
Onchocerca volvulus 0.0037 0.0327 0.216
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0053 0.052 0.5
Mycobacterium tuberculosis Conserved protein 0.0037 0.0327 0.0877
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0333 0.0545
Onchocerca volvulus 0.0071 0.0739 0.6608
Plasmodium vivax acetyl-CoA synthetase, putative 0.0021 0.0127 0.2208
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0465
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0308 0.2953
Brugia malayi Cytochrome P450 family protein 0.0053 0.0516 0.0747
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0054 0.0762
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0636 0.2029
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0327 0.3106
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0328 0.3012
Loa Loa (eye worm) hypothetical protein 0.0564 0.6712 1
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0021 0.0127 0.2208
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0333 0.3167
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0127 0.1073
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0465
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0332 0.3898 0.5797
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0327 0.2999
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0333 0.3167
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.0127 0.0132
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0328 0.0204
Schistosoma mansoni transcription factor LCR-F1 0.0298 0.3487 0.7659
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0327 0.2999
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0328 0.3009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0636 0.858
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0359 0.3306
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.2774 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0327 0.4304
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0636 0.1344
Schistosoma mansoni hypothetical protein 0.0023 0.0148 0.0291
Loa Loa (eye worm) inositol-1 0.004 0.0359 0.0512
Loa Loa (eye worm) hypothetical protein 0.0053 0.052 0.0753
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0087 0.0106
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1354 0.1999
Brugia malayi hypothetical protein 0.0033 0.0269 0.0378
Echinococcus granulosus dna polymerase eta 0.0038 0.0333 0.0545
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0636 1
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0333 0.0474
Entamoeba histolytica hypothetical protein 0.0298 0.3487 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0627 0.1349
Brugia malayi hypothetical protein 0.0237 0.2747 0.4078
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0327 0.0686
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.1052 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0021 0.0127 0.1794
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.1052 1
Brugia malayi MH2 domain containing protein 0.0122 0.1354 0.1999
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0327 0.0202
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1052 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0327 0.0528
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0576 0.0837
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0627 0.1997
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0053 0.052 0.1596
Schistosoma mansoni hypothetical protein 0.0298 0.3487 0.7659
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0148 0.0021
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0127 0.0166
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0333 0.4394
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0359 0.0234
Brugia malayi beta-lactamase family protein 0.0037 0.0327 0.0465
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0359 0.3406
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0328 0.3012
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.0739 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0359 0.0987
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0564 0.6712 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0053 0.052 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.0127 0.0132
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0108 0.1839
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0359 0.0611
Giardia lamblia Kinase, PLK 0.0097 0.1052 1
Brugia malayi Inositol-1 0.004 0.0359 0.0512
Brugia malayi RNA binding protein 0.0332 0.3898 0.5797
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0328 0.0531
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0459 0.0662
Echinococcus granulosus geminin 0.0333 0.3913 1
Entamoeba histolytica hypothetical protein 0.0298 0.3487 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0328 0.0466
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0457 0.4252
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.0127 0.0132
Loa Loa (eye worm) hypothetical protein 0.0038 0.0333 0.0474
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0127 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3898 0.8566
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0333 0.3062
Echinococcus granulosus GPCR family 2 0.0178 0.2037 0.5044
Leishmania major hypothetical protein, conserved 0.0051 0.0486 0.4617
Trypanosoma brucei unspecified product 0.0038 0.0333 0.3064
Toxoplasma gondii exonuclease III APE 0.0038 0.0328 0.5034
Brugia malayi latrophilin 2 splice variant baaae 0.0386 0.4548 0.6768
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Loa Loa (eye worm) oxidoreductase 0.0021 0.0127 0.0166
Brugia malayi AMP-binding enzyme family protein 0.0071 0.0739 0.1079
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0636 0.0516
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0071 0.0739 1
Trichomonas vaginalis esterase, putative 0.0037 0.0327 0.2999
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0327 0.2999
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0486 0.7581
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0359 0.5527
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0359 0.4742
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1052 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0486 0.933
Trypanosoma cruzi DNA damage repair protein, putative 0.0012 0.0016 0.0149
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0327 0.3106
Brugia malayi beta-lactamase family protein 0.0037 0.0327 0.0465
Leishmania major DNA damage repair protein, putative 0.0012 0.0016 0.0149
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0359 0.3304
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0359 0.3406
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1354 0.1999
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0127 0.107
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0085 0.0152
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0486 0.4536
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0327 0.0465
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.225 0.2151
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0328 0.0881
Loa Loa (eye worm) hypothetical protein 0.0237 0.2747 0.4078
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0071 0.0739 1
Trypanosoma brucei unspecified product 0.0026 0.019 0.1685
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0071 0.0739 1
Brugia malayi AMP-binding enzyme family protein 0.0071 0.0739 0.1079
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0127 0.0132
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0484 0.1464
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0465
Echinococcus multilocularis dna polymerase eta 0.0038 0.0333 0.0209
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0071 0.0739 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0327 0.4304
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.1052 0.2444
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0016 0.0153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0196 0.225 0.3337
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0327 0.0877
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.0739 0.7018
Mycobacterium ulcerans hypothetical protein 0.0071 0.0739 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0012 0.0016 0.0149
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0141 0.1205
Echinococcus granulosus dna polymerase kappa 0.0038 0.0333 0.0545
Brugia malayi Calcitonin receptor-like protein seb-1 0.0564 0.6712 1
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0333 0.0474
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0298 0.3487 0.3403
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0627 0.8459
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0021 0.0127 0.1539
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0021 0.0127 0.032
Schistosoma mansoni hypothetical protein 0.0178 0.2037 0.4459
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0166
Loa Loa (eye worm) beta-lactamase 0.0037 0.0327 0.0465
Mycobacterium ulcerans hypothetical protein 0.0037 0.0327 0.4304
Schistosoma mansoni inositol monophosphatase 0.004 0.0359 0.0756
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Entamoeba histolytica hypothetical protein 0.0298 0.3487 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0327 0.6174
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0021 0.0127 0.1539
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0178 0.2037 0.5044
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.225 0.5607
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0636 0.6043
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0127 0.1207
Onchocerca volvulus 0.0037 0.0327 0.216
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0327 0.4304
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0021 0.0127 0.1794
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.1052 0.0937
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0457 0.4252
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0178 0.2037 0.1934
Schistosoma mansoni hypothetical protein 0.0333 0.3913 0.86
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0328 0.0899
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0178 0.2037 0.3018
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0327 0.0877
Schistosoma mansoni hypothetical protein 0.0386 0.4548 1
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3898 0.8566
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0328 0.3116
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.0127 0.0132
Mycobacterium tuberculosis Conserved protein 0.0037 0.0327 0.0877
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0359 0.3304
Loa Loa (eye worm) hypothetical protein 0.0051 0.0486 0.0702
Loa Loa (eye worm) hypothetical protein 0.0178 0.2037 0.3018
Trypanosoma cruzi DNA polymerase eta, putative 0.0012 0.0016 0.0149
Leishmania major DNA polymerase eta, putative 0.0038 0.0333 0.3167
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0486 0.933
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0052 0.0584
Loa Loa (eye worm) hypothetical protein 0.0053 0.052 0.0753
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0333 0.0901
Loa Loa (eye worm) hypothetical protein 0.0071 0.0739 0.1079
Brugia malayi TAR-binding protein 0.0332 0.3898 0.5797
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Schistosoma mansoni inositol monophosphatase 0.004 0.0359 0.0756
Onchocerca volvulus 0.0037 0.0327 0.216
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.0739 0.7018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.225 0.493
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0333 0.0474
Schistosoma mansoni survival motor neuron protein 0.0048 0.0459 0.0978
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0127 0.0166
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0333 0.0701
Mycobacterium tuberculosis Conserved protein 0.0037 0.0327 0.0877
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0127 0.0166
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0636 0.1368
Schistosoma mansoni DNA polymerase eta 0.0038 0.0333 0.0701
Echinococcus multilocularis GPCR, family 2 0.0178 0.2037 0.1934
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0636 0.858
Toxoplasma gondii propionate-CoA ligase 0.0021 0.0127 0.1794
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0141 0.0014
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0627 0.8459
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2747 0.6918
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0127 0.1207
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0127 0.1207
Leishmania major DNA polymerase kappa, putative 0.0038 0.0333 0.3167
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0071 0.0739 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.0127 0.0132
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.1052 0.2986
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0127 0.107
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0327 0.0877
Schistosoma mansoni ap endonuclease 0.0038 0.0328 0.0689
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0071 0.0739 0.2412
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.0127 0.0132
Trypanosoma brucei unspecified product 0.0026 0.019 0.1685
Leishmania major DNA polymerase eta, putative 0.0012 0.0016 0.0149
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0328 0.3116
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0021 0.0127 0.0166
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0486 0.4617
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0636 0.858
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0333 0.0701
Loa Loa (eye worm) hypothetical protein 0.0053 0.052 0.0753
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0016 0.0149
Loa Loa (eye worm) hypothetical protein 0.0053 0.052 0.0753
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0178 0.2037 0.1934
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0333 0.3167
Trypanosoma brucei DNA polymerase eta, putative 0.0038 0.0333 0.3064
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0333 0.0209
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.225 0.5607
Onchocerca volvulus 0.0048 0.0459 0.3587
Echinococcus granulosus tar DNA binding protein 0.0332 0.3898 0.9959
Loa Loa (eye worm) TAR-binding protein 0.0332 0.3898 0.5797
Loa Loa (eye worm) hypothetical protein 0.0386 0.4548 0.6768
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0333 0.3064
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0127 0.1207
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0148 0.0055
Schistosoma mansoni hypothetical protein 0.0178 0.2037 0.4459
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0327 0.2999
Plasmodium falciparum acyl-CoA synthetase 0.0053 0.052 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0486 0.4617
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0196 0.225 0.3337
Mycobacterium leprae Probable lipase LipE 0.0037 0.0327 0.3268
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0359 0.3304
Loa Loa (eye worm) RNA binding protein 0.0332 0.3898 0.5797
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0327 0.3268
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0178 0.2037 0.5044
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0021 0.0127 0.1539
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.0739 0.2412
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.019 0.1685
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0465
Schistosoma mansoni hypothetical protein 0.0048 0.0459 0.0978
Entamoeba histolytica hypothetical protein 0.0298 0.3487 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0333 0.3062
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Schistosoma mansoni acetyl-CoA synthetase 0.0021 0.0127 0.0245
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0333 0.3167
Entamoeba histolytica acyl-CoA synthetase, putative 0.0071 0.0739 0.2082
Echinococcus granulosus bloom syndrome protein 0.0022 0.0141 0.0037
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0021 0.0127 0.1539
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0484 0.1464
Brugia malayi Latrophilin receptor protein 2 0.0178 0.2037 0.3018
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0333 0.3064
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.0739 0.7018
Leishmania major hypothetical protein, conserved 0.0037 0.0327 0.3106
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0021 0.0127 0.1539
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0465
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0021 0.0127 0.1073
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0327 0.0877
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0327 0.0877
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0359 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0328 0.5
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0021 0.0127 0.1539
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0328 0.4319
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0298 0.3487 0.8874
Loa Loa (eye worm) hypothetical protein 0.0071 0.0739 0.1079
Leishmania major DNA polymerase kappa, putative 0.0012 0.0016 0.0149
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0627 0.5959
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0071 0.0739 1
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0127 0.0166
Loa Loa (eye worm) hypothetical protein 0.0053 0.052 0.0753
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0327 0.4304
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0636 0.1368
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0021 0.0127 0.1539
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.0739 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0327 0.0877
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.1052 0.1548
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0327 0.0465
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0627 0.1321
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0359 0.3406
Schistosoma mansoni hypothetical protein 0.0178 0.2037 0.4459
Loa Loa (eye worm) latrophilin receptor protein 2 0.0178 0.2037 0.3018
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0021 0.0127 0.1539
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0127 0.0166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.225 0.493
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0333 0.0901
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.1052 0.1548
Entamoeba histolytica acyl-CoA synthetase, putative 0.0071 0.0739 0.2082
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0016 0.0153
Schistosoma mansoni ap endonuclease 0.0038 0.0328 0.0689
Brugia malayi beta-lactamase 0.0037 0.0327 0.0465
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0327 0.0686
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0327 0.2999
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.225 0.2151
Schistosoma mansoni hypothetical protein 0.0333 0.3913 0.86
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0127 0.0132
Schistosoma mansoni kinase 0.0049 0.0472 0.1007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0484 0.1464
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0166
Echinococcus multilocularis geminin 0.0333 0.3913 0.3835
Brugia malayi AMP-binding enzyme family protein 0.0071 0.0739 0.1079
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0127 0.0166
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0333 0.3167
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0327 0.0877
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0333 0.0209
Loa Loa (eye worm) RecQ helicase 0.0022 0.0141 0.0187
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0327 0.3001
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0328 0.3009
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0486 0.933
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0016 0.0149
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0127 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3898 0.8566
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0328 0.6195
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0127 0.1207
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0333 0.3167
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0465
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0484 0.1464
Toxoplasma gondii ABC1 family protein 0.0037 0.0327 0.5017
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0141 0.1205
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Loa Loa (eye worm) hypothetical protein 0.0071 0.0739 0.1079
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0627 0.0507
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0308 0.0805
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3898 0.8566
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0516 0.0747
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0333 0.0914
Brugia malayi RNA recognition motif domain containing protein 0.0332 0.3898 0.5797
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0127 0.0166
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1052 1
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2747 0.2653
Onchocerca volvulus 0.0025 0.0178 0.0549
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.019 0.1685
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0127 0.1539
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0127 0.1207
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0328 0.3116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0564 0.6712 1
Schistosoma mansoni hypothetical protein 0.0178 0.2037 0.4459
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.0739 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0333 0.3064
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0328 0.0466
Brugia malayi hypothetical protein 0.0051 0.0486 0.0702
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0333 0.3064
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0016 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.1052 0.2287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.225 0.493
Echinococcus multilocularis tar DNA binding protein 0.0332 0.3898 0.382
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0127 0.1207
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0333 0.4394
Trypanosoma brucei polo-like protein kinase 0.0097 0.1052 1
Mycobacterium ulcerans acetyl-CoA synthetase 0.0021 0.0127 0.1539
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0141 0.0187

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.24 Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay ChEMBL. 19791743
pEC50 (functional) Agonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay ChEMBL. 19791743
pKb (functional) Antagonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay ChEMBL. 19791743
pKb (functional) = 5.48 Antagonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay ChEMBL. 19791743
pKb (functional) = 5.89 Antagonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gialpha-2-Gbeta-1-gamma-2 and RGS4 proteins protein by steady-state GTPase assay ChEMBL. 19791743

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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