Detailed information for compound 24313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.982 | Formula: C27H27ClN4O
  • H donors: 0 H acceptors: 2 LogP: 4.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)CCCN1C(=O)/C(=C/c2cccnc2)/c2c1cccc2
  • InChi: 1S/C27H27ClN4O/c28-22-7-3-8-23(19-22)31-16-14-30(15-17-31)12-5-13-32-26-10-2-1-9-24(26)25(27(32)33)18-21-6-4-11-29-20-21/h1-4,6-11,18-20H,5,12-17H2/b25-18+
  • InChiKey: FYSWFXXEYMAVNL-XIEYBQDHSA-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 2a (5-HT2a) receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical 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 granulosus 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
Echinococcus multilocularis serotonin receptor 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
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative 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
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Serotonin 2a (5-HT2a) receptor   471 aa 405 aa 25.4 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Serotonin 2a (5-HT2a) receptor   471 aa 435 aa 23.0 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0786 0.5323 1
Echinococcus multilocularis jumonji domain containing protein 0.0129 0.0601 0.0601
Echinococcus multilocularis serotonin receptor 0.0154 0.0785 0.0785
Chlamydia trachomatis glutamine binding protein 0.0058 0.0096 0.5
Brugia malayi Bromodomain containing protein 0.0086 0.0297 0.0528
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0151 0.0156
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0062 0.0124 0.0177
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0341 0.0541
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.0752 0.0735
Loa Loa (eye worm) hypothetical protein 0.0083 0.0272 0.0379
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0142 0.0697 0.0697
Echinococcus multilocularis peregrin 0.0101 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0161 0.083 0.141
Loa Loa (eye worm) glutaminase 0.0273 0.1635 0.2896
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.0322 0.0322
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0062 0.0124 0.0177
Loa Loa (eye worm) hypothetical protein 0.0154 0.0785 0.1326
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0058 0.0094 0.0076
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0142 0.0697 0.0697
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0388 0.037
Schistosoma mansoni cpg binding protein 0.0068 0.0164 0.0146
Schistosoma mansoni phosphatidylserine receptor 0.0161 0.083 0.0813
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0433 0.279 0.5029
Loa Loa (eye worm) hypothetical protein 0.016 0.0824 0.1399
Onchocerca volvulus 0.0062 0.0124 0.0182
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0243 0.1421 0.2355
Loa Loa (eye worm) hypothetical protein 0.009 0.0322 0.0471
Echinococcus multilocularis PHD finger protein rhinoceros 0.0092 0.0341 0.0341
Mycobacterium ulcerans glutaminase 0.0273 0.1635 0.2224
Loa Loa (eye worm) hypothetical protein 0.0092 0.0341 0.0506
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0246 0.1441 0.1441
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Echinococcus multilocularis phd:f box containing protein 0.0296 0.1805 0.1805
Brugia malayi jmjC domain containing protein 0.0161 0.083 0.1503
Plasmodium vivax JmjC domain containing protein 0.0232 0.1345 1
Brugia malayi Pre-SET motif family protein 0.0433 0.279 0.5082
Treponema pallidum fructose-bisphosphate aldolase 0.0786 0.5323 1
Echinococcus granulosus lysine specific demethylase 6a 0.0161 0.083 0.083
Brugia malayi hypoxia-induced factor 1 0.0147 0.0735 0.1329
Echinococcus granulosus fetal alzheimer antigen falz 0.0058 0.0094 0.0094
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Brugia malayi PAS domain containing protein 0.0048 0.0019 0.002
Brugia malayi CXXC zinc finger family protein 0.0054 0.0067 0.0108
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0151 0.0151
Loa Loa (eye worm) PHD-finger family protein 0.0092 0.0341 0.0506
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0161 0.083 0.0813
Echinococcus multilocularis serotonin receptor 0.0154 0.0785 0.0785
Trichomonas vaginalis set domain proteins, putative 0.0493 0.322 0.6036
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.0322 0.0304
Schistosoma mansoni hypothetical protein 0.0183 0.0991 0.0975
Leishmania major hypothetical protein, conserved 0.0161 0.083 1
Brugia malayi hypothetical protein 0.016 0.0824 0.1492
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0677 0.4537 0.4537
Echinococcus multilocularis jumonji domain containing 1A 0.0243 0.1425 0.1425
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0148 0.0076
Echinococcus granulosus jumonji domain containing protein 0.0129 0.0601 0.0601
Loa Loa (eye worm) jmjC domain-containing protein 0.0191 0.1048 0.1812
Brugia malayi follicle stimulating hormone receptor 0.0233 0.1347 0.2446
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0148 0.0148
Echinococcus multilocularis cpg binding protein 0.0068 0.0164 0.0164
Loa Loa (eye worm) jmjC domain-containing protein 0.0243 0.1425 0.2508
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0062 0.0124 0.0177
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0062 0.0124 0.0177
Schistosoma mansoni jumonji/arid domain-containing protein 0.0667 0.4467 0.4457
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0148 0.034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0388 0.037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Plasmodium falciparum JmjC domain-containing protein, putative 0.0232 0.1345 1
Brugia malayi PHD-finger family protein 0.0092 0.0341 0.0609
Loa Loa (eye worm) hypothetical protein 0.0309 0.1895 0.3375
Plasmodium vivax SET domain protein, putative 0.0062 0.0123 0.0787
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0151 0.0133
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0148 0.0076
Loa Loa (eye worm) hypothetical protein 0.0289 0.1755 0.3117
Echinococcus granulosus PHD finger protein rhinoceros 0.0092 0.0341 0.0341
Plasmodium vivax hypothetical protein, conserved 0.0092 0.0341 0.2427
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0019 0.0019
Echinococcus multilocularis zinc finger protein 0.0055 0.0074 0.0074
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0161 0.083 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0667 0.4467 0.4457
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0123 0.0175
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0677 0.4537 0.4537
Brugia malayi Muscleblind-like protein 0.0309 0.1895 0.3447
Echinococcus granulosus histone lysine methyltransferase setb 0.0099 0.0388 0.0388
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0148 0.0148
Echinococcus granulosus JmjC domain containing protein 4 0.0161 0.083 0.083
Loa Loa (eye worm) hypothetical protein 0.0227 0.1306 0.2288
Echinococcus granulosus muscleblind protein 0.0309 0.1895 0.1895
Brugia malayi Bromodomain containing protein 0.0101 0.0403 0.0722
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0148 0.0217
Loa Loa (eye worm) hypothetical protein 0.0099 0.0388 0.0593
Schistosoma mansoni cpg binding protein 0.0068 0.0164 0.0146
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0092 0.0341 0.0323
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0877 0.5975 1
Toxoplasma gondii hypothetical protein 0.0082 0.0268 0.0418
Echinococcus granulosus jumonji domain containing 1A 0.0243 0.1425 0.1425
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0786 0.5323 1
Onchocerca volvulus 0.0062 0.0123 0.0178
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.0322 0.0574
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0161 0.083 0.1363
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0172 0.0913 0.0913
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0123 0.0105
Loa Loa (eye worm) acetyltransferase 0.015 0.0752 0.1265
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0062 0.0124 0.0124
Schistosoma mansoni tumor necrosis factor receptor related 0.0246 0.1441 0.1426
Brugia malayi jmjC domain containing protein 0.0243 0.1425 0.2589
Toxoplasma gondii PLU-1 family protein 0.0141 0.0692 0.113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Echinococcus granulosus peregrin 0.0101 0.0403 0.0403
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0062 0.0124 0.0124
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0151 0.0263
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0161 0.083 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0151 0.0385
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0099 0.0388 0.0388
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0078 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0092 0.0334 0.0494
Echinococcus granulosus lysine specific demethylase 5A 0.0667 0.4467 0.4467
Schistosoma mansoni biogenic amine (5HT) receptor 0.0154 0.0785 0.0768
Schistosoma mansoni jumonji domain containing protein 0.0614 0.409 0.4079
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0151 0.0385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0148 0.0076
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.0752 0.0752
Echinococcus granulosus zinc finger protein 0.0055 0.0074 0.0074
Echinococcus granulosus geminin 0.0183 0.0991 0.0991
Brugia malayi Bromodomain containing protein 0.0175 0.0934 0.1693
Schistosoma mansoni microtubule-associated protein tau 0.1437 1 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0161 0.083 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0107 0.0107
Schistosoma mansoni lipoxygenase 0.0102 0.0408 0.039
Brugia malayi glutaminase DH11.1 0.0273 0.1635 0.2973
Brugia malayi PHD-finger family protein 0.0067 0.0157 0.0272
Schistosoma mansoni zinc finger protein 0.0055 0.0074 0.0055
Schistosoma mansoni glutaminase 0.0273 0.1635 0.162
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.1347 0.2363
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.032 0.1976 0.3526
Trichomonas vaginalis glutaminase, putative 0.0273 0.1635 0.3048
Brugia malayi jmjC domain containing protein 0.0808 0.5482 1
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0062 0.0124 0.0106
Echinococcus granulosus cpg binding protein 0.0068 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0154 0.0785 0.1326
Schistosoma mansoni hypothetical protein 0.0092 0.0341 0.0323
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0058 0.0096 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0124 0.0106
Echinococcus multilocularis lysine specific demethylase 6a 0.0161 0.083 0.083
Onchocerca volvulus 0.0493 0.322 1
Loa Loa (eye worm) glutaminase 2 0.0273 0.1635 0.2896
Loa Loa (eye worm) jmjC domain-containing protein 0.0161 0.083 0.141
Echinococcus multilocularis lysine specific demethylase 5A 0.0653 0.437 0.437
Loa Loa (eye worm) hypothetical protein 0.0105 0.0432 0.0674
Brugia malayi jmjC domain containing protein 0.0161 0.083 0.1503
Schistosoma mansoni protein phosphatase 2C 0.0161 0.083 0.0813
Schistosoma mansoni hypothetical protein 0.0183 0.0991 0.0975
Echinococcus multilocularis microtubule associated protein 2 0.1437 1 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.1895 0.3375
Echinococcus granulosus phd:f box containing protein 0.0296 0.1805 0.1805
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0341 0.0541
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0062 0.0124 0.0106
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0172 0.0913 0.0913
Schistosoma mansoni lipoxygenase 0.0172 0.0913 0.0896
Brugia malayi prolyl 4-hydroxylase 0.0062 0.0124 0.0213
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0078 0.0234 0.0234
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0151 0.0151
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0148 0.0076
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0081 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0153 0.0775 0.1307
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.0735 0.1234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0123 0.0105
Brugia malayi Pre-SET motif family protein 0.0062 0.0123 0.0211
Onchocerca volvulus Alhambra homolog 0.0092 0.0341 0.0869
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0786 0.5323 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.0686 0.0686
Echinococcus multilocularis JmjC domain containing protein 4 0.0161 0.083 0.083
Echinococcus multilocularis geminin 0.0183 0.0991 0.0991
Echinococcus multilocularis nmda type glutamate receptor 0.0081 0.0259 0.0259
Brugia malayi jmjC domain containing protein 0.0066 0.0152 0.0264
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.0752 0.1359
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.1022 0.7018 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.1331 0.1784
Loa Loa (eye worm) jmjC domain-containing protein 0.0808 0.5482 1
Schistosoma mansoni bromodomain containing protein 0.015 0.0752 0.0735
Onchocerca volvulus 0.009 0.0322 0.0808
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0246 0.1441 0.1441
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0151 0.0385
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.1022 0.7018 1
Brugia malayi jmjC domain containing protein 0.0066 0.0152 0.0264
Echinococcus granulosus biogenic amine 5HT receptor 0.0154 0.0785 0.0785
Schistosoma mansoni phd/f-box containing protein 0.0296 0.1805 0.179
Echinococcus multilocularis muscleblind protein 0.0309 0.1895 0.1895
Echinococcus multilocularis muscleblind protein 1 0.0309 0.1895 0.1895
Schistosoma mansoni cpg binding protein 0.0054 0.0067 0.0048
Echinococcus granulosus nmda type glutamate receptor 0.0081 0.0259 0.0259
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.047 0.3049 0.3049
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0148 0.013
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.0322 0.0322
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.1022 0.7018 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0161 0.083 0.141
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0148 0.013
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0151 0.0385
Brugia malayi jmjC domain containing protein 0.0677 0.4537 0.8274
Brugia malayi jmjC domain containing protein 0.0161 0.083 0.1503
Schistosoma mansoni jumonji domain containing protein 0.0243 0.1425 0.1409
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.047 0.3049 0.3049
Giardia lamblia Fructose-bisphosphate aldolase 0.0786 0.5323 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0058 0.0094 0.0094

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 9.5 mg kg-1 In vivo effective dose required for inhibiting (+/-)DOI-induced(2.5 mg/kg, ip) twitches in mice ChEMBL. 11354383
ED50 (functional) = 9.5 mg kg-1 In vivo effective dose required for inhibiting (+/-)DOI-induced(2.5 mg/kg, ip) twitches in mice ChEMBL. 11354383
Ki (binding) = 7 nM Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor ChEMBL. 11354383
Ki (binding) = 7 nM Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor ChEMBL. 11354383
Ki (binding) = 101 nM Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus ChEMBL. 11354383
Ki (binding) = 101 nM Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus ChEMBL. 11354383

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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