Detailed information for compound 1180018

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.994 | Formula: C22H27ClN4OS
  • H donors: 1 H acceptors: 2 LogP: 5.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NCCCCN1CCN(CC1)c1nsc2c1cccc2.Cl
  • InChi: 1S/C22H26N4OS.ClH/c27-22(18-8-2-1-3-9-18)23-12-6-7-13-25-14-16-26(17-15-25)21-19-10-4-5-11-20(19)28-24-21;/h1-5,8-11H,6-7,12-17H2,(H,23,27);1H
  • InChiKey: KKPSHDOACNZGNT-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
Rattus norvegicus Serotonin 2 (5-HT2) receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1.1 mg kg-1 In vivo effective dose required to antagonize the apomorphine induced climbing response in mice administered intraperitoneally. ChEMBL. 8676355
ED50 (functional) = 21.5 mg kg-1 In vivo effective dose required to antagonize the apomorphine induced climbing response in mice administered perorally ChEMBL. 8676355
IC50 (binding) = 2.1 nM In vitro inhibitory activity against [3H]-ketanserin binding to 5-hydroxytryptamine 2 receptor ChEMBL. 8676355
IC50 (binding) = 5.2 nM In vitro inhibitory activity against [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor ChEMBL. 8676355
IC50 (binding) = 26 nM In vitro inhibitory activity against [3H]-raclopride binding to dopamine receptor D2 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

No literature references available for this target.

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