Detailed information for compound 19871

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 444.013 | Formula: C23H28ClN4OS-
  • H donors: 0 H acceptors: 2 LogP: 5.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)N(CCCCN1CCN(CC1)c1nsc2c1cccc2)C.[Cl-]
  • InChi: 1S/C23H28N4OS.ClH/c1-25(23(28)19-9-3-2-4-10-19)13-7-8-14-26-15-17-27(18-16-26)22-20-11-5-6-12-21(20)29-24-22;/h2-6,9-12H,7-8,13-18H2,1H3;1H/p-1
  • InChiKey: UCADRIBMRIIORM-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0348 0.09
Schistosoma mansoni caspase-7 (C14 family) 0.0017 0.0024 0.0038
Brugia malayi Thioredoxin reductase 0.0042 0.0391 0.0611
Onchocerca volvulus Huntingtin homolog 0.0134 0.176 0.4895
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0505 0.0882
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0505 0.0882
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0348 0.0914
Onchocerca volvulus 0.0037 0.0309 0.0804
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0037 0.0309 0.079
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0348 0.9949
Schistosoma mansoni inositol monophosphatase 0.0039 0.035 0.0546
Echinococcus granulosus dna polymerase kappa 0.002 0.0063 0.011
Schistosoma mansoni hypothetical protein 0.0171 0.2294 0.3581
Schistosoma mansoni ferritin light chain 0.0018 0.003 0.0047
Schistosoma mansoni smad1 5 8 and 0.0017 0.0014 0.0022
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0017 0.0024 0.0043
Echinococcus granulosus acetylcholinesterase 0.0216 0.2974 0.5187
Echinococcus granulosus para nitrobenzyl esterase 0.0037 0.0309 0.054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0505 0.0789
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0216 0.2974 0.4643
Loa Loa (eye worm) hypothetical protein 0.0054 0.0572 0.0572
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0257 0.357 1
Brugia malayi Carboxylesterase family protein 0.0216 0.2974 0.4643
Leishmania major DNA polymerase kappa, putative 0.002 0.0063 0.0109
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.0309 0.0483
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0014 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0505 0.0789
Giardia lamblia Hypothetical protein 0.0056 0.0593 0.1511
Echinococcus granulosus geminin 0.0171 0.2294 0.4
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0289 0.1965
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0257 0.357 0.5573
Echinococcus multilocularis cpg binding protein 0.003 0.021 0.0367
Echinococcus multilocularis para nitrobenzyl esterase 0.0037 0.0309 0.054
Onchocerca volvulus 0.0037 0.0309 0.0804
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0257 0.357 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.2197 0.2197
Echinococcus granulosus disks large 3 0.0048 0.0473 0.0825
Treponema pallidum ATP-dependent RNA helicase 0.0257 0.357 1
Brugia malayi hypothetical protein 0.0037 0.0309 0.0483
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.035 0.0918
Loa Loa (eye worm) hypothetical protein 0.016 0.2139 0.2139
Onchocerca volvulus 0.0028 0.0187 0.0457
Brugia malayi Peripheral plasma membrane protein CASK 0.0021 0.0072 0.0112
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0063 0.0099
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 0.3388 0.3388
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0063
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Echinococcus multilocularis smad 0.0017 0.0014 0.0025
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Schistosoma mansoni ferritin 0.0018 0.003 0.0047
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0063 0.0099
Schistosoma mansoni cell polarity protein 0.0048 0.0473 0.0739
Onchocerca volvulus 0.0039 0.0348 0.0914
Onchocerca volvulus 0.0054 0.0572 0.1544
Onchocerca volvulus 0.0039 0.0348 0.0914
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0257 0.357 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.035 0.0918
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0096 0.119 0.3276
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0257 0.357 1
Schistosoma mansoni cpg binding protein 0.003 0.021 0.0329
Schistosoma mansoni hypothetical protein 0.0066 0.0741 0.1157
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0348 0.0914
Schistosoma mansoni hypothetical protein 0.0171 0.2294 0.3581
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0257 0.357 0.6226
Echinococcus multilocularis lamin 0.0029 0.0203 0.0353
Echinococcus granulosus integrin alpha ps 0.0096 0.1194 0.2083
Schistosoma mansoni cell polarity protein 0.0018 0.0032 0.0051
Brugia malayi Calcitonin receptor-like protein seb-1 0.0208 0.2844 0.4439
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0014 0.0014
Mycobacterium ulcerans carboxylesterase, LipT 0.0037 0.0309 0.8732
Onchocerca volvulus 0.0037 0.0309 0.0804
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0505 0.0789
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0742 0.1158
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0063 0.0109
Echinococcus granulosus ferritin 0.0018 0.003 0.0052
Loa Loa (eye worm) hypothetical protein 0.0208 0.2844 0.2844
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0257 0.357 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.035 0.0918
Schistosoma mansoni hypothetical protein 0.0403 0.5734 0.8951
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0063 0.104
Echinococcus multilocularis tumor protein p63 0.0371 0.5263 0.9178
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0014 0.0025
Loa Loa (eye worm) hypothetical protein 0.0029 0.0195 0.0195
Leishmania major hypothetical protein, conserved 0.0039 0.0348 0.0914
Echinococcus granulosus integrin alpha 3 0.0343 0.4856 0.8469
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0063 0.0063
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0063 0.0109
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0742 0.1158
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0742 0.1293
Brugia malayi Cell death protein 3 precursor 0.0017 0.0024 0.0038
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0257 0.357 1
Schistosoma mansoni ferritin 0.0018 0.003 0.0047
Echinococcus multilocularis disks large 3 0.0048 0.0473 0.0825
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0014 0.0025
Onchocerca volvulus 0.0029 0.0203 0.0503
Brugia malayi glutathione reductase 0.0042 0.0391 0.0611
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0391 0.1034
Echinococcus granulosus dna polymerase eta 0.002 0.0063 0.011
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0045 0.0434 0.0434
Brugia malayi TAR-binding protein 0.0066 0.0742 0.1158
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Schistosoma mansoni integrin alpha-ps 0.0105 0.1317 0.2056
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0348 0.0914
Loa Loa (eye worm) hypothetical protein 0.0096 0.1194 0.1194
Echinococcus granulosus integrin alpha ps 0.0201 0.2743 0.4785
Echinococcus multilocularis carboxylesterase 5A 0.0216 0.2974 0.5187
Brugia malayi Guanylate kinase family protein 0.0052 0.0545 0.0851
Schistosoma mansoni apoferritin-2 0.0018 0.003 0.0047
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0014 0.0022
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0063 0.0109
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0017 0.0024 0.0043
Brugia malayi Smad1 0.0017 0.0014 0.0022
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0391 0.0391
Brugia malayi CXXC zinc finger family protein 0.0028 0.0187 0.0291
Brugia malayi eukaryotic initiation factor 4A 0.0257 0.357 0.5573
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0572 0.0893
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.0309 0.0483
Loa Loa (eye worm) inositol-1 0.0039 0.035 0.035
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0063 0.0099
Echinococcus granulosus neuroligin 0.0037 0.0309 0.054
Echinococcus multilocularis Smad4 0.0017 0.0014 0.0025
Echinococcus granulosus tar DNA binding protein 0.0066 0.0742 0.1293
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0037 0.0309 0.054
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0348 0.09
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Echinococcus granulosus biogenic amine 5HT receptor 0.016 0.2139 0.3731
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.5734 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0348
Plasmodium falciparum thioredoxin reductase 0.0042 0.0391 0.1034
Plasmodium vivax glutathione reductase, putative 0.0042 0.0391 0.1034
Brugia malayi MH1 domain containing protein 0.0017 0.0014 0.0022
Brugia malayi beta-lactamase family protein 0.0039 0.0348 0.0544
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0257 0.357 0.6226
Schistosoma mansoni smad 0.0017 0.0014 0.0022
Brugia malayi MH2 domain containing protein 0.0017 0.0014 0.0022
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0063 0.0109
Schistosoma mansoni gliotactin 0.0037 0.0309 0.0483
Loa Loa (eye worm) hypothetical protein 0.0142 0.187 0.187
Leishmania major trypanothione reductase 0.0042 0.0391 0.1034
Loa Loa (eye worm) beta-lactamase 0.0039 0.0348 0.0348
Mycobacterium tuberculosis Probable reductase 0.0096 0.119 0.3276
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0391 0.1034
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.035 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0037 0.0309 0.0483
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0741 0.1157
Leishmania major DNA polymerase eta, putative 0.002 0.0063 0.0109
Brugia malayi Carboxylesterase family protein 0.0037 0.0309 0.0483
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0063 0.0109
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0741 0.1292
Schistosoma mansoni intermediate filament proteins 0.0029 0.0203 0.0316
Echinococcus granulosus Smad4 0.0017 0.0014 0.0025
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0348 0.09
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0348 0.09
Schistosoma mansoni lamin 0.0029 0.0203 0.0316
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.035 0.0818
Mycobacterium ulcerans lipase LipD 0.0039 0.0348 0.9949
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0399 0.0697
Schistosoma mansoni lamin 0.0029 0.0203 0.0316
Echinococcus multilocularis acetylcholinesterase 0.0216 0.2974 0.5187
Schistosoma mansoni hypothetical protein 0.0066 0.0741 0.1157
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0063 0.0094
Brugia malayi Carboxylesterase family protein 0.0037 0.0309 0.0483
Trichomonas vaginalis esterase, putative 0.0039 0.0348 0.0914
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0505 0.0882
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0136 0.1786 0.2789
Echinococcus multilocularis musashi 0.0029 0.0203 0.0353
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0348 0.2416
Brugia malayi intermediate filament protein 0.0029 0.0203 0.0316
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0136 0.1786 0.497
Echinococcus granulosus lamin dm0 0.0029 0.0203 0.0353
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.331 0.331
Schistosoma mansoni hypothetical protein 0.0142 0.187 0.292
Mycobacterium ulcerans beta-lactamase 0.0039 0.0348 0.9949
Schistosoma mansoni ferritin 0.0018 0.003 0.0047
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0063 0.0109
Schistosoma mansoni smad1 5 8 and 0.0017 0.0014 0.0022
Brugia malayi MH1 domain containing protein 0.0017 0.0014 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0742 0.1158
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0203 0.0203
Brugia malayi Inositol-1 0.0039 0.035 0.0546
Schistosoma mansoni hypothetical protein 0.0066 0.0741 0.1157
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.3478 0.974
Mycobacterium tuberculosis Probable dehydrogenase 0.0096 0.119 0.3276
Loa Loa (eye worm) hypothetical protein 0.0164 0.2197 0.2197
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.187 0.292
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0742 0.1158
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0257 0.357 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0257 0.357 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0339 0.4789 0.7476
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0063 0.0099
Loa Loa (eye worm) hypothetical protein 0.0216 0.2974 0.2974
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0037 0.0309 0.0804
Loa Loa (eye worm) hypothetical protein 0.0066 0.0741 0.0741
Echinococcus multilocularis caspase 2 0.0017 0.0024 0.0043
Loa Loa (eye worm) carboxylesterase 0.0037 0.0309 0.0309
Schistosoma mansoni biogenic amine (5HT) receptor 0.016 0.2139 0.334
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0063 0.011
Echinococcus multilocularis serotonin receptor 0.016 0.2139 0.3731
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0063 0.0109
Loa Loa (eye worm) RNA binding protein 0.0066 0.0742 0.0742
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0014 0.0025
Echinococcus granulosus caspase 8 0.0017 0.0024 0.0043
Schistosoma mansoni caspase-7 (C14 family) 0.0017 0.0024 0.0038
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0257 0.357 0.5573
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0096 0.119 0.3276
Loa Loa (eye worm) hypothetical protein 0.0247 0.343 0.343
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.035 0.061
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0203 0.0316
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0063 0.0109
Echinococcus multilocularis lamin dm0 0.0029 0.0203 0.0353
Brugia malayi MH2 domain containing protein 0.0244 0.3388 0.529
Schistosoma mansoni inositol monophosphatase 0.0039 0.035 0.0546
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0348 0.0544
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0348 0.0348
Onchocerca volvulus 0.0039 0.0348 0.0914
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0741 0.1292
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0391 0.102
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0017 0.0024 0.0038
Schistosoma mansoni smad1 5 8 and 0.0017 0.0014 0.0022
Loa Loa (eye worm) hypothetical protein 0.016 0.2139 0.2139
Leishmania major eukaryotic initiation factor 4a, putative 0.0257 0.357 1
Echinococcus multilocularis integrin alpha 3 0.0343 0.4856 0.8469
Treponema pallidum 5'-nucleotidase (ushA) 0.0136 0.1786 0.4962
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0107 0.1348 0.3725
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0348 0.0914
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0348 0.09
Loa Loa (eye worm) hypothetical protein 0.0105 0.1317 0.1317
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Mycobacterium tuberculosis Conserved protein 0.0039 0.0348 0.09
Loa Loa (eye worm) hypothetical protein 0.0257 0.357 0.357
Echinococcus multilocularis ferritin 0.0018 0.003 0.0052
Toxoplasma gondii thioredoxin reductase 0.0042 0.0391 0.1034
Echinococcus multilocularis integrin alpha ps 0.0201 0.2743 0.4785
Schistosoma mansoni cpg binding protein 0.0028 0.0187 0.0291
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0107 0.1348 0.3725
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Toxoplasma gondii ABC1 family protein 0.0039 0.0348 0.0914
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Mycobacterium tuberculosis Conserved protein 0.0039 0.0348 0.09
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Echinococcus multilocularis muscleblind protein 1 0.0164 0.2197 0.3832
Brugia malayi Muscleblind-like protein 0.0164 0.2197 0.343
Loa Loa (eye worm) transcription factor SMAD2 0.0244 0.3388 0.3388
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0561 0.1514
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.035 0.0918
Mycobacterium tuberculosis Conserved protein 0.0039 0.0348 0.09
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0742 0.1158
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0348 0.0608
Schistosoma mansoni apoferritin-2 0.0018 0.003 0.0047
Brugia malayi Carboxylesterase family protein 0.0037 0.0309 0.0483
Loa Loa (eye worm) glutathione reductase 0.0042 0.0391 0.0391
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0063 0.011
Echinococcus granulosus intermediate filament protein 0.0029 0.0203 0.0353
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0741 0.1292
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0257 0.357 1
Onchocerca volvulus 0.0037 0.0309 0.0804
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0037 0.0309 0.079
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Brugia malayi beta-lactamase family protein 0.0039 0.0348 0.0544
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0136 0.1781 0.278
Loa Loa (eye worm) hypothetical protein 0.0352 0.4979 0.4979
Brugia malayi follicle stimulating hormone receptor 0.0239 0.331 0.5168
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0348
Echinococcus multilocularis integrin alpha ps 0.0096 0.1194 0.2083
Echinococcus granulosus cpg binding protein 0.003 0.021 0.0367
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0348 0.0914
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0348 0.9949
Trypanosoma brucei unspecified product 0.002 0.0063 0.0109
Echinococcus multilocularis BC026374 protein (S09 family) 0.0037 0.0309 0.054
Schistosoma mansoni DNA polymerase eta 0.002 0.0063 0.0099
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.035 0.0918
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0741 0.1292
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.035 0.0918
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0656 0.1025
Loa Loa (eye worm) Smad1 0.0017 0.0014 0.0014
Brugia malayi Carboxylesterase family protein 0.0037 0.0309 0.0483
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0348 0.09
Echinococcus granulosus smad 0.0017 0.0014 0.0025
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.035 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0505 0.0789
Brugia malayi RNA binding protein 0.0066 0.0742 0.1158
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0257 0.357 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.0309 0.0483
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0096 0.119 0.3276
Trichomonas vaginalis spcc417.12 protein, putative 0.0037 0.0309 0.0804
Echinococcus granulosus GPCR family 2 0.0066 0.0741 0.1292
Loa Loa (eye worm) hypothetical protein 0.0037 0.0309 0.0309
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0348 0.0914
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0014 0.0025
Loa Loa (eye worm) acetylcholinesterase 1 0.0216 0.2974 0.2974
Trichomonas vaginalis ferritin, putative 0.0018 0.003 0.0015
Echinococcus multilocularis caspase 0.0017 0.0024 0.0043
Loa Loa (eye worm) guanylate kinase 0.0039 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0348
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0742 0.1158
Echinococcus multilocularis GPCR, family 2 0.0066 0.0741 0.1292
Echinococcus multilocularis serotonin receptor 0.016 0.2139 0.3731
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0348 0.0544
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0399 0.0697
Schistosoma mansoni integrin alpha 0.0448 0.6405 1
Loa Loa (eye worm) carboxylesterase 0.0216 0.2974 0.2974
Schistosoma mansoni caspase-3 (C14 family) 0.0017 0.0024 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0024
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0001 0.0001
Echinococcus multilocularis integrin alpha ps 0.0201 0.2743 0.4785
Brugia malayi MH2 domain containing protein 0.0017 0.0014 0.0022
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0017 0.0024 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0348 0.0914
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0107 0.1348 1
Schistosoma mansoni Smad4 0.0017 0.0014 0.0022
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.035 0.0918
Echinococcus multilocularis geminin 0.0171 0.2294 0.4
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0063 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0063 0.0109
Echinococcus multilocularis acetylcholinesterase 0.0216 0.2974 0.5187
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0257 0.357 1
Loa Loa (eye worm) hypothetical protein 0.0339 0.4789 0.4789
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.0134 0.176 0.176
Loa Loa (eye worm) hypothetical protein 0.0134 0.176 0.176
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0505 0.0882
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0741 0.1157
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0063 0.0109
Echinococcus granulosus eukaryotic initiation factor 4A 0.0257 0.357 0.6226
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0348 0.0914
Echinococcus granulosus dnaJ subfamily B 0.0403 0.5734 1
Echinococcus multilocularis neuroligin 0.0037 0.0309 0.054
Schistosoma mansoni ferritin light chain 0.0018 0.003 0.0047
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0024
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0037 0.0309 0.054
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0289 0.0732
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0208 0.2844 0.4439
Brugia malayi Carboxylesterase family protein 0.0216 0.2974 0.4643
Echinococcus granulosus caspase 0.0017 0.0024 0.0043
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0257 0.357 1
Schistosoma mansoni acetylcholinesterase 0.0037 0.0309 0.0483
Onchocerca volvulus 0.0037 0.0309 0.0804
Echinococcus multilocularis caspase 8 0.0017 0.0024 0.0043
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0187 0.0187
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0348 0.0608
Mycobacterium ulcerans hypothetical protein 0.0039 0.0348 0.9949
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0063 0.0109
Echinococcus multilocularis dna polymerase kappa 0.002 0.0063 0.011
Brugia malayi beta-lactamase 0.0039 0.0348 0.0544
Brugia malayi hypothetical protein 0.0134 0.176 0.2748
Schistosoma mansoni cpg binding protein 0.003 0.021 0.0329
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0001 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0348 0.0544
Mycobacterium tuberculosis Probable oxidoreductase 0.0107 0.1348 0.3725
Schistosoma mansoni integrin alpha-ps 0.0201 0.2743 0.4283
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0063 0.0109
Plasmodium falciparum glutathione reductase 0.0042 0.0391 0.1034
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0203 0.0203
Echinococcus multilocularis expressed protein 0.0018 0.003 0.0052
Echinococcus multilocularis dna polymerase eta 0.002 0.0063 0.011
Schistosoma mansoni hypothetical protein 0.0066 0.0741 0.1157
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0741 0.0741
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0096 0.119 0.8796
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0056 0.0599 0.162
Leishmania major eukaryotic initiation factor 4a, putative 0.0257 0.357 1
Onchocerca volvulus 0.0021 0.0072 0.0134
Schistosoma mansoni hypothetical protein 0.0096 0.1194 0.1864
Schistosoma mansoni neuroligin 3 (S09 family) 0.0037 0.0309 0.0483
Loa Loa (eye worm) hypothetical protein 0.0216 0.2974 0.2974
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0096 0.119 0.3276
Plasmodium vivax RNA helicase-1, putative 0.0257 0.357 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0348
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0208 0.2844 0.2844
Echinococcus granulosus acetylcholinesterase 0.0216 0.2974 0.5187
Echinococcus granulosus BC026374 protein S09 family 0.0037 0.0309 0.054
Echinococcus granulosus caspase 2 0.0017 0.0024 0.0043
Loa Loa (eye worm) hypothetical protein 0.0029 0.0203 0.0203
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0257 0.357 0.6226
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0348 0.0914
Onchocerca volvulus 0.0029 0.0203 0.0503
Trypanosoma brucei trypanothione reductase 0.0042 0.0391 0.1034
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0348 0.09
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.035 1
Schistosoma mansoni ferritin 0.0018 0.003 0.0047
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0063 0.0109
Echinococcus granulosus tumor protein p63 0.0371 0.5263 0.9178
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0063 0.104
Mycobacterium leprae Probable lipase LipE 0.0039 0.0348 0.2416
Onchocerca volvulus Huntingtin homolog 0.0134 0.176 0.4895
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.035 0.0918
Loa Loa (eye worm) hypothetical protein 0.0039 0.0348 0.0348
Echinococcus granulosus muscleblind protein 0.0164 0.2197 0.3832
Brugia malayi Integrin alpha pat-2 precursor 0.0448 0.6405 1
Echinococcus granulosus expressed protein 0.0018 0.003 0.0052
Echinococcus granulosus carboxylesterase 5A 0.0216 0.2974 0.5187
Echinococcus granulosus lamin 0.0029 0.0203 0.0353
Loa Loa (eye worm) carboxylesterase 0.0037 0.0309 0.0309
Echinococcus multilocularis muscleblind protein 0.0164 0.2197 0.3832
Mycobacterium tuberculosis Carboxylesterase LipT 0.0037 0.0309 0.079

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 10 mg kg-1 In vivo effective dose required to antagonize the apomorphine induced climbing response in mice administered intraperitoneally. ChEMBL. 8676355
ED50 (functional) = 22.4 mg kg-1 In vivo effective dose required to antagonize the apomorphine induced climbing response in mice administered perorally ChEMBL. 8676355
IC50 (binding) = 1.4 nM In vitro inhibitory activity against [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor ChEMBL. 8676355
IC50 (binding) = 3.9 nM In vitro inhibitory activity against [3H]-ketanserin binding to 5-hydroxytryptamine 2 receptor ChEMBL. 8676355
IC50 (binding) = 17 nM In vitro inhibitory activity against [3H]-raclopride binding to dopamine receptor D2 ChEMBL. 8676355
Ratio (binding) = 4 Ratio of dopamine receptor D2 to 5-hydroxytryptamine receptor 2C binding ChEMBL. 8676355

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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