Detailed information for compound 24063

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

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 27 mg kg-1 In vivo effective dose required for inhibiting (+/-)DOI-induced(2.5 mg/kg, ip) twitches in mice ChEMBL. 11354383
ED50 (functional) = 27 mg kg-1 In vivo effective dose required for inhibiting (+/-)DOI-induced(2.5 mg/kg, ip) twitches in mice ChEMBL. 11354383
Induction (functional) = 0.1 Tested for induction of lower lip retraction(LLR) in rats at 10 mg/kg, ip, given 15 min before the test ChEMBL. 11354383
Induction (functional) = 0.1 Tested for induction of lower lip retraction(LLR) in rats at 20 mg/kg, ip, given 15 min before the test ChEMBL. 11354383
Inhibition (functional) = 0.9 Ability to inhibit 8-OH-DPAT(1 mg/kg,sc) induced lower lip retraction(LLR) in rats at concentration of 20 mg/kg, ip,given 45 min before 8-OH-DPAT administration ChEMBL. 11354383
Inhibition (functional) = 2.3 Ability to inhibit 8-OH-DPAT(1 mg/kg,sc) induced lower lip retraction(LLR) in rats at concentration of 10 mg/kg, ip,given 45 min before 8-OH-DPAT administration ChEMBL. 11354383
Ki (binding) = 20 nM Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor ChEMBL. 11354383
Ki (binding) = 20 nM Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor ChEMBL. 11354383
Ki (binding) = 57 nM Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus ChEMBL. 11354383
Ki (binding) = 57 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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