Detailed information for compound 1161252

Basic information

Technical information
  • TDR Targets ID: 1161252
  • Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4- b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol -3-yl)acetamide
  • MW: 465.912 | Formula: C22H16ClN5O3S
  • H donors: 2 H acceptors: 3 LogP: 4.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1noc(c1)C)CSc1nc2c3ccccc3[nH]c2c(=O)n1c1cccc(c1)Cl
  • InChi: 1S/C22H16ClN5O3S/c1-12-9-17(27-31-12)25-18(29)11-32-22-26-19-15-7-2-3-8-16(15)24-20(19)21(30)28(22)14-6-4-5-13(23)10-14/h2-10,24H,11H2,1H3,(H,25,27,29)
  • InChiKey: UWNBBXKANUISAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide
  • 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
  • 2-[[3-(3-chlorophenyl)-4-keto-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide
  • 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
  • ZINC02720902
  • Oprea1_720476
  • G856-1216
  • NCGC00135483-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 hypothetical protein 0.003 0.0532 0.602
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0058 0.132 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0014 0.0102 0.0034
Mycobacterium ulcerans beta-lactamase 0.0058 0.132 1
Trichomonas vaginalis D-aminoacylase, putative 0.0058 0.132 1
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0209 0.111
Echinococcus granulosus biogenic amine 5HT receptor 0.0014 0.0102 0.0034
Schistosoma mansoni ap endonuclease 0.003 0.0548 0.0517
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0131 0.033
Brugia malayi putative neuropeptide receptor 0.0014 0.0102 0.0251
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0895 0.6431
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.003 0.0548 0.0482
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0895 0.6431
Schistosoma mansoni hypothetical protein 0.003 0.0532 0.0499
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Echinococcus granulosus neuropeptide Y receptor 0.0014 0.0102 0.0034
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Echinococcus multilocularis g protein coupled receptor 0.0014 0.0102 0.0034
Onchocerca volvulus 0.0058 0.132 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0014 0.0102 0.0034
Brugia malayi beta-lactamase family protein 0.0058 0.132 0.3512
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0014 0.0102 0.0034
Schistosoma mansoni hypothetical protein 0.0248 0.6595 0.7045
Toxoplasma gondii thioredoxin reductase 0.003 0.0532 0.3701
Toxoplasma gondii exonuclease III APE 0.003 0.0548 0.3829
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Leishmania major GTP-binding protein, putative 0.0017 0.0184 0.0911
Echinococcus multilocularis serotonin receptor 0.0014 0.0102 0.0034
Echinococcus granulosus neuropeptides capa receptor 0.0014 0.0102 0.0034
Echinococcus granulosus tm gpcr rhodopsin 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Trypanosoma brucei PAB1-binding protein , putative 0.0017 0.0172 0.1301
Echinococcus granulosus neuropeptides capa receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Plasmodium falciparum glutathione reductase 0.003 0.0532 0.5773
Echinococcus multilocularis g protein coupled receptor 0.0014 0.0102 0.0034
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0184 0.0911
Mycobacterium tuberculosis Probable esterase LipL 0.0058 0.132 0.1259
Loa Loa (eye worm) hypothetical protein 0.0058 0.132 0.1916
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0058 0.132 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0068 0.1587 0.1528
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0014 0.0102 0.0034
Schistosoma mansoni neuropeptide receptor 0.0014 0.0102 0.0034
Echinococcus multilocularis neuropeptide receptor A26 0.0014 0.0102 0.0034
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0131 0.0488
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) acetyltransferase 0.0145 0.3743 0.563
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0068 0.1587 0.1528
Echinococcus granulosus g-protein coupled receptor 0.0014 0.0102 0.0034
Echinococcus granulosus neuropeptide s receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.337 0.5057
Echinococcus multilocularis thioredoxin glutathione reductase 0.003 0.0544 0.0511
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0797 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.363 0.3844
Leishmania major hypothetical protein, conserved 0.0017 0.0172 0.0815
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.003 0.0548 0.4156
Echinococcus granulosus tm gpcr rhodopsin 0.0014 0.0102 0.0034
Schistosoma mansoni opsin-like receptor 0.0014 0.0102 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0072 0.1707 0.1768
Echinococcus granulosus beta LACTamase domain containing family member 0.0058 0.132 0.135
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0014 0.0102 0.0034
Echinococcus multilocularis g protein coupled receptor 0.0014 0.0102 0.0034
Echinococcus granulosus neuropeptide receptor A26 0.0014 0.0102 0.0034
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0014 0.0102 0.0048
Schistosoma mansoni amine GPCR 0.0014 0.0102 0.0034
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0131 0.0066
Brugia malayi AKH receptor 0.0014 0.0102 0.0251
Brugia malayi TAR-binding protein 0.0132 0.337 0.8999
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.003 0.0548 0.0517
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0014 0.0102 0.0034
Echinococcus multilocularis neuropeptide s receptor 0.0014 0.0102 0.0034
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0014 0.0102 0.0034
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0131 0.0066
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0131 0.0066
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0014 0.0102 0.0048
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Mycobacterium tuberculosis Probable reductase 0.0068 0.1587 0.1528
Trichomonas vaginalis penicillin-binding protein, putative 0.0058 0.132 1
Brugia malayi follicle stimulating hormone receptor 0.0014 0.0102 0.0251
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0017 0.0184 0.0175
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.0172 0.0815
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.003 0.0548 0.0733
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0131 0.0488
Schistosoma mansoni hypothetical protein 0.0014 0.0102 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0132 0.337 0.3563
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Toxoplasma gondii ABC1 family protein 0.0058 0.132 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0014 0.0102 0.0034
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0014 0.0102 0.0034
Echinococcus granulosus 7tm_1 domain containing protein 0.0014 0.0102 0.0034
Brugia malayi Dopamine receptor protein 1 0.0014 0.0102 0.0251
Schistosoma mansoni biogenic amine receptor 0.0014 0.0102 0.0034
Echinococcus granulosus allatostatin A receptor 0.0014 0.0102 0.0034
Echinococcus granulosus alpha 1A adrenergic receptor 0.0014 0.0102 0.0034
Schistosoma mansoni hypothetical protein 0.0346 0.9331 1
Echinococcus granulosus dna polymerase eta 0.0015 0.0131 0.0066
Trichomonas vaginalis penicillin-binding protein, putative 0.0058 0.132 1
Mycobacterium tuberculosis Probable lipase LipE 0.0058 0.132 0.1259
Echinococcus granulosus dna polymerase kappa 0.0015 0.0131 0.0066
Echinococcus granulosus 7TM GPCR rhodopsin 0.0014 0.0102 0.0034
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0068 0.1587 0.1528
Leishmania major DNA polymerase kappa, putative 0.0015 0.0131 0.0488
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.003 0.0548 0.3829
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0014 0.0102 0.0034
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0014 0.0102 0.0034
Trichomonas vaginalis ap endonuclease, putative 0.003 0.0548 0.3512
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0014 0.0102 0.0251
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.003 0.0548 0.0517
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.0131 0.0488
Schistosoma mansoni biogenic amine receptor 0.0014 0.0102 0.0034
Schistosoma mansoni neuropeptide F-like receptor 0.0014 0.0102 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.1707 0.1768
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.0131 0.0488
Loa Loa (eye worm) G-protein coupled receptor 0.0014 0.0102 0.0048
Trypanosoma brucei importin beta-1 subunit, putative 0.0023 0.0354 0.2683
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0072 0.1707 0.1768
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0209 0.0213
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus tachykinin peptides receptor 99D 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Brugia malayi neuropeptide F receptor 0.0014 0.0102 0.0251
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.0172 0.0815
Plasmodium vivax thioredoxin reductase, putative 0.003 0.0532 0.3142
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.003 0.0548 0.3829
Loa Loa (eye worm) thioredoxin reductase 0.003 0.0532 0.0709
Echinococcus multilocularis dna polymerase kappa 0.0015 0.0131 0.0066
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0014 0.0102 0.0048
Treponema pallidum exodeoxyribonuclease (exoA) 0.003 0.0548 0.5
Brugia malayi RE15519p 0.0014 0.0102 0.0251
Schistosoma mansoni adenoreceptor 0.0014 0.0102 0.0034
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0131 0.033
Loa Loa (eye worm) hypothetical protein 0.0058 0.132 0.1916
Schistosoma mansoni hypothetical protein 0.0014 0.0102 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0058 0.132 0.135
Echinococcus multilocularis g-protein coupled receptor 0.0014 0.0102 0.0034
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0058 0.132 0.1259
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0895 0.6605
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni alpha-1 adrenergic receptor 0.0014 0.0102 0.0034
Echinococcus granulosus sex peptide receptor 0.0014 0.0102 0.0034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Brugia malayi Tachykinin-like peptides receptor 99D 0.0014 0.0102 0.0251
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0072 0.1707 0.4549
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0014 0.0102 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0132 0.337 0.3563
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Entamoeba histolytica hypothetical protein 0.0019 0.0232 0.1519
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0895 0.6304
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0014 0.0102 0.0034
Echinococcus granulosus neuropeptide FF receptor 2 0.0014 0.0102 0.0034
Echinococcus multilocularis beta LACTamase domain containing family member 0.0058 0.132 0.135
Loa Loa (eye worm) hypothetical protein 0.0023 0.0354 0.0435
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus multilocularis dna polymerase eta 0.0015 0.0131 0.0066
Mycobacterium ulcerans esterase/lipase LipP 0.0058 0.132 1
Echinococcus multilocularis snurportin 1 0.0248 0.6595 0.7045
Echinococcus granulosus tar DNA binding protein 0.0132 0.337 0.3563
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.3743 0.3966
Brugia malayi Importin beta-1 subunit 0.0023 0.0354 0.0927
Toxoplasma gondii LsmAD domain-containing protein 0.0017 0.0172 0.0815
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0072 0.1707 0.2509
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0131 0.0094
Loa Loa (eye worm) G-protein coupled receptor 0.0014 0.0102 0.0048
Schistosoma mansoni growth hormone secretagogue receptor 0.0014 0.0102 0.0034
Brugia malayi G-protein coupled receptor 0.0014 0.0102 0.0251
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0015 0.0131 0.0061
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Trichomonas vaginalis D-aminoacylase, putative 0.0058 0.132 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus G protein coupled receptor 139 0.0014 0.0102 0.0034
Entamoeba histolytica hypothetical protein 0.003 0.0532 0.602
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.003 0.0532 0.0499
Echinococcus multilocularis neuropeptides capa receptor 0.0014 0.0102 0.0034
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0014 0.0102 0.0034
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0014 0.0102 0.0034
Leishmania major importin beta-1 subunit, putative 0.0019 0.0232 0.1297
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0017 0.0184 0.0911
Schistosoma mansoni amine GPCR 0.0014 0.0102 0.0034
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0017 0.0184 0.0192
Mycobacterium tuberculosis Probable oxidoreductase 0.0075 0.1797 0.1739
Trichomonas vaginalis ran, putative 0.0017 0.0184 0.0444
Loa Loa (eye worm) TAR-binding protein 0.0132 0.337 0.5057
Loa Loa (eye worm) melatonin receptor type 1A 0.0014 0.0102 0.0048
Leishmania major DNA polymerase eta, putative 0.0015 0.0131 0.0488
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0797 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Schistosoma mansoni opsin-like receptor 0.0014 0.0102 0.0034
Brugia malayi Thioredoxin reductase 0.003 0.0532 0.1405
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0014 0.0102 0.0034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Brugia malayi Dopamine receptor protein 2 0.0014 0.0102 0.0251
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0058 0.132 0.1259
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0131 0.0992
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0058 0.132 0.135
Echinococcus multilocularis somatostatin receptor 0.0014 0.0102 0.0034
Echinococcus granulosus thioredoxin glutathione reductase 0.003 0.0544 0.0511
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0072 0.1707 0.1768
Schistosoma mansoni amine GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.132 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0072 0.1707 0.1768
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0131 0.0992
Echinococcus granulosus neuropeptide Y receptor 0.0014 0.0102 0.0034
Echinococcus granulosus g protein coupled receptor 0.0014 0.0102 0.0034
Brugia malayi glutathione reductase 0.003 0.0532 0.1405
Echinococcus multilocularis neuropeptides capa receptor 0.0014 0.0102 0.0034
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0895 0.0891
Leishmania major hypothetical protein, conserved 0.0058 0.132 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0017 0.0184 0.0794
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus multilocularis fmrfamide receptor 0.0014 0.0102 0.0034
Brugia malayi cytochrome P450 0.0013 0.007 0.0166
Brugia malayi Cytochrome P450 family protein 0.0018 0.0209 0.0538
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.003 0.0548 0.5
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Onchocerca volvulus 0.0058 0.132 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Echinococcus granulosus tm gpcr rhodopsin 0.0014 0.0102 0.0034
Plasmodium vivax importin-beta 2, putative 0.0023 0.0354 0.1588
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0014 0.0102 0.0251
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0014 0.0102 0.0034
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0014 0.0102 0.0034
Brugia malayi beta-lactamase family protein 0.0058 0.132 0.3512
Schistosoma mansoni hypothetical protein 0.0014 0.0102 0.0034
Echinococcus granulosus peptide allatostatin:somatostatin 0.0014 0.0102 0.0034
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0209 0.0213
Echinococcus multilocularis serotonin receptor 0.0014 0.0102 0.0034
Schistosoma mansoni neuropeptide receptor 0.0014 0.0102 0.0034
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.003 0.0532 0.0499
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0014 0.0102 0.0251
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0075 0.1797 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Brugia malayi larval opioid receptor 0.0014 0.0102 0.0251
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Brugia malayi RNA, U transporter 1 0.0066 0.1543 0.411
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus multilocularis orexin receptor type 2 0.0014 0.0102 0.0034
Echinococcus multilocularis neuropeptide Y receptor 0.0014 0.0102 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.132 1
Mycobacterium tuberculosis Conserved protein 0.0058 0.132 0.1259
Echinococcus multilocularis G protein coupled receptor 139 0.0014 0.0102 0.0034
Mycobacterium tuberculosis Probable dehydrogenase 0.0068 0.1587 0.1528
Brugia malayi G protein-coupled receptor F59B2.13 0.0014 0.0102 0.0251
Mycobacterium ulcerans hypothetical protein 0.0058 0.132 1
Echinococcus granulosus neuropeptide receptor 0.0014 0.0102 0.0034
Echinococcus granulosus hypothetical protein 0.0014 0.0102 0.0034
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0131 0.0992
Schistosoma mansoni hypothetical protein 0.0346 0.9331 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0015 0.0131 0.0488
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0058 0.132 0.1259
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Onchocerca volvulus 0.0058 0.132 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0014 0.0102 0.0034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Brugia malayi Dopamine receptor 0.0014 0.0102 0.0251
Echinococcus granulosus importin subunit beta 1 0.0023 0.0354 0.0307
Brugia malayi G-protein coupled receptor 0.0014 0.0102 0.0251
Trichomonas vaginalis esterase, putative 0.0058 0.132 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0014 0.0102 0.0034
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0017 0.0184 0.0471
Loa Loa (eye worm) hypothetical protein 0.0058 0.132 0.1916
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.3743 0.3966
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0014 0.0102 0.0034
Trypanosoma cruzi importin beta-1 subunit, putative 0.0019 0.0232 0.1297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.337 0.8999
Schistosoma mansoni myosin xvIII 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0058 0.132 0.1916
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0131 0.0061
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni neuropeptide receptor 0.0014 0.0102 0.0034
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0068 0.1587 0.8786
Schistosoma mansoni transcription factor LCR-F1 0.003 0.0532 0.0499
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Schistosoma mansoni amine GPCR 0.0014 0.0102 0.0034
Brugia malayi Serotonin receptor 0.0014 0.0102 0.0251
Brugia malayi exodeoxyribonuclease III family protein 0.003 0.0548 0.1447
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0015 0.0131 0.0488
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0014 0.0102 0.0251
Loa Loa (eye worm) RNA binding protein 0.0132 0.337 0.5057
Schistosoma mansoni ran 0.0017 0.0184 0.0123
Schistosoma mansoni biogenic amine (5HT) receptor 0.0014 0.0102 0.0034
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0895 0.6605
Trypanosoma brucei trypanothione reductase 0.003 0.0532 0.4035
Brugia malayi putative neuropeptide receptor NPR1 0.0014 0.0102 0.0251
Trypanosoma brucei unspecified product 0.0015 0.0131 0.0992
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.0232 0.0851
Mycobacterium tuberculosis Conserved protein 0.0058 0.132 0.1259
Schistosoma mansoni neuropeptide receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0014 0.0102 0.0048
Echinococcus multilocularis neuropeptide receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Brugia malayi Cytochrome P450 family protein 0.0013 0.007 0.0166
Trichomonas vaginalis D-aminoacylase, putative 0.0058 0.132 1
Echinococcus granulosus serotonin receptor 0.0014 0.0102 0.0034
Brugia malayi RNA binding protein 0.0132 0.337 0.8999
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus snurportin 1 0.0248 0.6595 0.7045
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0014 0.0102 0.0251
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0014 0.0102 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0068 0.1587 0.1528
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.003 0.0548 0.3829
Plasmodium falciparum importin beta, putative 0.0023 0.0354 0.2918
Loa Loa (eye worm) neuropeptide F receptor 0.0014 0.0102 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0797 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0172 0.0156
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.003 0.0548 0.6029
Loa Loa (eye worm) TYRA-2 protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) glutathione reductase 0.003 0.0532 0.0709
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0.007 0.053
Echinococcus multilocularis G-protein coupled receptor, putative 0.0014 0.0102 0.0034
Echinococcus multilocularis neuropeptide FF receptor 2 0.0014 0.0102 0.0034
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0131 0.0488
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0017 0.0184 0.1392
Echinococcus granulosus geminin 0.0346 0.9331 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.003 0.0548 0.3281
Echinococcus multilocularis sex peptide receptor 0.0014 0.0102 0.0034
Brugia malayi Serotonin receptor 0.0014 0.0102 0.0251
Brugia malayi neuropeptide F receptor 0.0014 0.0102 0.0251
Schistosoma mansoni tar DNA-binding protein 0.0132 0.337 0.3563
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0014 0.0102 0.0048
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0131 0.0066
Schistosoma mansoni ap endonuclease 0.003 0.0548 0.0517
Brugia malayi Cytochrome P450 family protein 0.0035 0.0685 0.1813
Plasmodium falciparum thioredoxin reductase 0.003 0.0532 0.5773
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0075 0.1797 0.1739
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus orexin receptor type 2 0.0014 0.0102 0.0034
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0014 0.0102 0.0034
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0014 0.0102 0.0034
Brugia malayi hypothetical protein 0.0017 0.0172 0.0439
Schistosoma mansoni tar DNA-binding protein 0.0132 0.337 0.3563
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0014 0.0102 0.0034
Trypanosoma cruzi trypanothione reductase, putative 0.003 0.0532 0.3701
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0014 0.0102 0.0034
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Echinococcus granulosus dro:myosuppressin receptor 0.0014 0.0102 0.0034
Schistosoma mansoni neuropeptide F-like receptor 0.0014 0.0102 0.0034
Trichomonas vaginalis importin beta-1, putative 0.0019 0.0232 0.0851
Loa Loa (eye worm) neuropeptide F receptor 0.0014 0.0102 0.0048
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.003 0.0532 0.0466
Echinococcus multilocularis fmrfamide receptor 0.0014 0.0102 0.0034
Mycobacterium leprae conserved hypothetical protein 0.0058 0.132 0.7237
Schistosoma mansoni biogenic amine receptor 0.0014 0.0102 0.0034
Brugia malayi sulfakinin receptor protein 0.0014 0.0102 0.0251
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0058 0.132 0.1916
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0131 0.0094
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni histamine h1 receptor 0.0014 0.0102 0.0034
Brugia malayi Cytochrome P450 family protein 0.0018 0.0209 0.0538
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0014 0.0102 0.0034
Echinococcus granulosus fmrfamide receptor 0.0014 0.0102 0.0034
Brugia malayi MH2 domain containing protein 0.0115 0.2913 0.7777
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0014 0.0102 0.0034
Schistosoma mansoni ran 0.0017 0.0184 0.0123
Brugia malayi ORL1-like opioid receptor 0.0014 0.0102 0.0251
Plasmodium vivax glutathione reductase, putative 0.003 0.0532 0.3142
Echinococcus granulosus g protein coupled receptor 0.0014 0.0102 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.1707 0.1768
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0209 0.0213
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0017 0.0184 0.0123
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0209 0.111
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus multilocularis importin subunit beta 1 0.0023 0.0354 0.0307
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.0209 0.111
Brugia malayi hypothetical protein 0.0014 0.0102 0.0251
Schistosoma mansoni opsin-like receptor 0.0014 0.0102 0.0034
Brugia malayi GnHR receptor homolog 0.0014 0.0102 0.0251
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Mycobacterium tuberculosis Probable hydrolase 0.0058 0.132 0.1259
Echinococcus granulosus g protein coupled receptor 0.0014 0.0102 0.0034
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0209 0.1581
Mycobacterium ulcerans lipase LipD 0.0058 0.132 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.0232 0.0851
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0014 0.0102 0.0034
Echinococcus multilocularis allatostatin A receptor 0.0014 0.0102 0.0034
Trichomonas vaginalis ap endonuclease, putative 0.003 0.0548 0.3512
Leishmania major cytochrome p450-like protein 0.0018 0.0209 0.111
Echinococcus multilocularis geminin 0.0346 0.9331 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.1707 0.1768
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0075 0.1797 0.1739
Entamoeba histolytica hypothetical protein 0.003 0.0532 0.602
Loa Loa (eye worm) cytochrome P450 family protein 0.0035 0.0685 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0131 0.0992
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Schistosoma mansoni DNA polymerase eta 0.0015 0.0131 0.0066
Mycobacterium leprae Probable lipase LipE 0.0058 0.132 0.7237
Schistosoma mansoni hypothetical protein 0.0014 0.0102 0.0034
Echinococcus multilocularis neuropeptide receptor 0.0014 0.0102 0.0034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Entamoeba histolytica hypothetical protein 0.003 0.0532 0.602
Echinococcus multilocularis dro:myosuppressin receptor 0.0014 0.0102 0.0034
Mycobacterium tuberculosis Probable lipase LipD 0.0058 0.132 0.1259
Loa Loa (eye worm) hypothetical protein 0.0058 0.132 0.1916
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Brugia malayi beta-lactamase 0.0058 0.132 0.3512
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.2913 0.4357
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.003 0.0548 0.6272
Leishmania major trypanothione reductase 0.003 0.0532 0.3701
Mycobacterium tuberculosis Conserved protein 0.0058 0.132 0.1259
Trypanosoma brucei hypothetical protein, conserved 0.0058 0.132 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.003 0.0548 0.3829
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni amine GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Echinococcus granulosus biogenic amine 5HT receptor 0.0014 0.0102 0.0034
Toxoplasma gondii HEAT repeat-containing protein 0.0023 0.0354 0.2273
Brugia malayi hypothetical protein 0.003 0.0532 0.1402
Echinococcus multilocularis neuropeptide Y receptor 0.0014 0.0102 0.0034
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0131 0.0488
Echinococcus multilocularis tar DNA binding protein 0.0132 0.337 0.3563
Schistosoma mansoni importin beta-1 0.0023 0.0354 0.0307
Echinococcus granulosus somatostatin receptor 0.0014 0.0102 0.0034
Echinococcus granulosus neuropeptide receptor 0.0014 0.0102 0.0034
Brugia malayi G protein-coupled receptor 0.0014 0.0102 0.0251
Trypanosoma brucei importin beta-1 subunit, putative 0.0023 0.0354 0.2683
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0184 0.0911
Loa Loa (eye worm) hypothetical protein 0.0058 0.132 0.1916
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.2913 0.4357
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.3743 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0014 0.0102 0.0034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0132 0.337 0.3563
Echinococcus granulosus GTP binding nuclear protein Ran 0.0017 0.0184 0.0123
Brugia malayi Melatonin receptor type 1A 0.0014 0.0102 0.0251
Echinococcus multilocularis rhodopsin orphan GPCR 0.0014 0.0102 0.0034
Loa Loa (eye worm) beta-lactamase 0.0058 0.132 0.1916
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.0131 0.0992
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0248 0.6595 1
Entamoeba histolytica Ran family GTPase 0.0017 0.0184 0.0794
Entamoeba histolytica exodeoxyribonuclease III, putative 0.003 0.0548 0.6272
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0058 0.132 0.3512
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0017 0.0184 0.0105

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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