Detailed information for compound 375034

Basic information

Technical information
  • TDR Targets ID: 375034
  • Name: N-[4-[(3S)-3,4-dimethylpiperazin-1-yl]phenyl] -2,3,7,8-tetramethylquinolin-4-amine
  • MW: 388.548 | Formula: C25H32N4
  • H donors: 1 H acceptors: 1 LogP: 5.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(C[C@@H]1C)c1ccc(cc1)Nc1c(C)c(C)nc2c1ccc(c2C)C
  • InChi: 1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m0/s1
  • InChiKey: OFZVRVWUVPCFQQ-KRWDZBQOSA-N  

Network

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Synonyms

  • N-[4-[(3S)-3,4-dimethylpiperazin-1-yl]phenyl]-2,3,7,8-tetramethyl-quinolin-4-amine
  • N-[4-[(3S)-3,4-dimethyl-1-piperazinyl]phenyl]-2,3,7,8-tetramethyl-4-quinolinamine
  • [4-[(3S)-3,4-dimethylpiperazino]phenyl]-(2,3,7,8-tetramethyl-4-quinolyl)amine
  • [4-[(3S)-3,4-dimethylpiperazin-1-yl]phenyl]-(2,3,7,8-tetramethyl-4-quinolyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor alpha 2B Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2C Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2A Starlite/ChEMBL References

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
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Schistosoma mansoni amine GPCR 0.0039 0.2845 0.9472
Schistosoma mansoni adenoreceptor 0.0039 0.2845 0.9472
Echinococcus granulosus g protein coupled receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus cathepsin L 0.0014 0.0337 0.1124
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.2845 0.9472
Echinococcus multilocularis cysteine protease 0.0028 0.1759 0.5858
Echinococcus granulosus alpha 1A adrenergic receptor 0.0039 0.2845 0.9472
Echinococcus granulosus cysteine protease 0.0014 0.0337 0.1124
Brugia malayi G-protein coupled receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.079 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Onchocerca volvulus 0.0039 0.2845 1
Onchocerca volvulus 0.0013 0.0233 0.0817
Echinococcus multilocularis glycine receptor subunit beta 0.0013 0.0233 0.0774
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Schistosoma mansoni hypothetical protein 0.0039 0.2845 0.9472
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0013 0.0233 0.0817
Echinococcus multilocularis serotonin receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Echinococcus multilocularis nAChR subunit 0.0013 0.0233 0.0774
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.2845 0.9472
Echinococcus multilocularis allatostatin A receptor 0.0039 0.2845 0.9472
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.2845 0.9472
Brugia malayi Cation transporter family protein 0.0013 0.0233 0.0774
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0233 0.0774
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Loa Loa (eye worm) G-protein coupled receptor 0.0039 0.2845 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0013 0.0233 0.0774
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0013 0.0233 0.0774
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Brugia malayi Dopamine receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0014 0.0337 0.1124
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Loa Loa (eye worm) cysteine protease 0.0028 0.1759 0.6185
Brugia malayi putative neuropeptide receptor NPR1 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0013 0.0233 0.0774
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0039 0.2845 0.9472
Echinococcus granulosus somatostatin receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Brugia malayi neuropeptide F receptor 0.0039 0.2845 0.9472
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Echinococcus granulosus neuropeptide receptor 0.0039 0.2845 0.9472
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trypanosoma cruzi cysteine peptidase, putative 0.0107 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0013 0.0233 0.0774
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.3003 1
Echinococcus multilocularis glycine receptor subunit beta 0.0013 0.0233 0.0774
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.1759 0.5858
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0014 0.0337 0.1124
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0039 0.2845 0.9472
Brugia malayi Papain family cysteine protease containing protein 0.0014 0.0337 0.1124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0013 0.0233 0.0774
Echinococcus granulosus neuropeptides capa receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis somatostatin receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus multilocularis g protein coupled receptor 0.0039 0.2845 0.9472
Schistosoma mansoni biogenic amine receptor 0.0039 0.2845 0.9472
Echinococcus granulosus glycine receptor subunit beta 0.0013 0.0233 0.0774
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0013 0.0233 0.0774
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus neuropeptide Y receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus multilocularis neuropeptides capa receptor 0.0039 0.2845 0.9472
Onchocerca volvulus Cathepsin L homolog 0.0028 0.1759 0.6185
Entamoeba histolytica hypothetical protein 0.004 0.3003 1
Echinococcus granulosus g protein coupled receptor 0.0039 0.2845 0.9472
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Brugia malayi cathepsin L-like precursor 0.0019 0.079 0.263
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Onchocerca volvulus 0.0028 0.1759 0.6185
Schistosoma mansoni opsin-like receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Schistosoma mansoni biogenic amine (5HT) receptor 0.0039 0.2845 0.9472
Echinococcus granulosus allatostatin A receptor 0.0039 0.2845 0.9472
Brugia malayi GnHR receptor homolog 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0013 0.0233 0.0774
Loa Loa (eye worm) TYRA-2 protein 0.0039 0.2845 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0013 0.0233 0.0774
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Schistosoma mansoni neuropeptide receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trypanosoma cruzi cruzipain precursor, putative 0.0107 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0039 0.2845 0.9472
Plasmodium vivax vivapain-2 0.0028 0.1759 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0039 0.2845 0.9472
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0039 0.2845 0.9472
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.2845 0.9472
Echinococcus granulosus nAChR subunit 0.0013 0.0233 0.0774
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0233 0.0774
Schistosoma mansoni hypothetical protein 0.004 0.3003 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Echinococcus multilocularis G-protein coupled receptor, putative 0.0039 0.2845 0.9472
Echinococcus multilocularis dro:myosuppressin receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Brugia malayi larval opioid receptor 0.0039 0.2845 0.9472
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0013 0.0233 0.0774
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0013 0.0233 0.0774
Echinococcus granulosus glycine receptor subunit alpha 1 0.0013 0.0233 0.0774
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0028 0.1759 0.5858
Echinococcus multilocularis g protein coupled receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus multilocularis cathepsin L 0.0014 0.0337 0.1124
Onchocerca volvulus 0.0028 0.1759 0.6185
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.2845 0.9472
Brugia malayi excitatory GABA receptor EXP-1A 0.0013 0.0233 0.0774
Echinococcus multilocularis orexin receptor type 2 0.0039 0.2845 0.9472
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0013 0.0233 0.0774
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Onchocerca volvulus 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0028 0.1759 0.5858
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0233 0.0774
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0013 0.0233 0.0774
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0013 0.0233 0.0774
Loa Loa (eye worm) ACC-1 protein 0.0013 0.0233 0.0817
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.2845 0.9472
Brugia malayi hypothetical protein 0.004 0.3003 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0039 0.2845 0.9472
Brugia malayi sulfakinin receptor protein 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus neuropeptides capa receptor 0.0039 0.2845 0.9472
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0039 0.2845 0.9472
Echinococcus granulosus cathepsin l1 0.0028 0.1759 0.5858
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Brugia malayi Cathepsin L-like precursor 0.0028 0.1759 0.5858
Onchocerca volvulus 0.0039 0.2845 1
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0013 0.0233 0.0774
Brugia malayi Dopamine receptor protein 1 0.0039 0.2845 0.9472
Brugia malayi Cathepsin L-like precursor 0.0028 0.1759 0.5858
Brugia malayi Serotonin receptor 0.0039 0.2845 0.9472
Brugia malayi Dopamine receptor protein 2 0.0039 0.2845 0.9472
Trypanosoma cruzi cysteine peptidase, putative 0.0107 1 1
Echinococcus multilocularis g protein coupled receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0013 0.0233 0.0774
Brugia malayi Papain family cysteine protease containing protein 0.0014 0.0337 0.1124
Trypanosoma cruzi major cysteine proteinase, putative 0.0084 0.7609 0.7525
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0013 0.0233 0.0774
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Schistosoma mansoni transcription factor LCR-F1 0.004 0.3003 1
Onchocerca volvulus 0.0013 0.0233 0.0817
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0013 0.0233 0.0774
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Entamoeba histolytica hypothetical protein 0.004 0.3003 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0028 0.1759 1
Toxoplasma gondii cathepsin CPL 0.0028 0.1759 0.5
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0013 0.0233 0.0774
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Schistosoma mansoni neuropeptide receptor 0.0039 0.2845 0.9472
Leishmania major cathepsin L-like protease 0.0107 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0039 0.2845 0.9472
Brugia malayi G protein-coupled receptor F59B2.13 0.0039 0.2845 0.9472
Schistosoma mansoni amine GPCR 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus neuropeptide receptor A26 0.0039 0.2845 0.9472
Echinococcus multilocularis neuropeptide FF receptor 2 0.0039 0.2845 0.9472
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0039 0.2845 0.9472
Plasmodium falciparum cysteine proteinase falcipain 3 0.0028 0.1759 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0013 0.0233 0.0774
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0013 0.0233 0.0774
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0028 0.1759 0.6185
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Schistosoma mansoni histamine h1 receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0013 0.0233 0.0774
Loa Loa (eye worm) G-protein coupled receptor 0.0039 0.2845 1
Loa Loa (eye worm) neuropeptide F receptor 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Onchocerca volvulus 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0039 0.2845 0.9472
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Echinococcus multilocularis neuropeptide Y receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus fmrfamide receptor 0.0039 0.2845 0.9472
Onchocerca volvulus Cathepsin L homolog 0.0028 0.1759 0.6185
Schistosoma mansoni neuropeptide receptor 0.0039 0.2845 0.9472
Echinococcus granulosus sex peptide receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0039 0.2845 1
Echinococcus granulosus g protein coupled receptor 0.0039 0.2845 0.9472
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis cysteine protease 0.0028 0.1759 0.5858
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0039 0.2845 0.9472
Onchocerca volvulus Neuropeptide F receptor homolog 0.0039 0.2845 1
Schistosoma mansoni amine GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus cathepsin l cysteine peptidase 0.0028 0.1759 0.5858
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0039 0.2845 0.9472
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0013 0.0233 0.0774
Echinococcus multilocularis fmrfamide receptor 0.0039 0.2845 0.9472
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0013 0.0233 0.0774
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0013 0.0233 0.0774
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0013 0.0233 0.0817
Echinococcus granulosus hypothetical protein 0.0039 0.2845 0.9472
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0014 0.0337 0.1124
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0039 0.2845 0.9472
Echinococcus granulosus neuropeptide Y receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus multilocularis G protein coupled receptor 139 0.0039 0.2845 0.9472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus serotonin receptor 0.0039 0.2845 0.9472
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.2845 0.9472
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.079 0.263
Loa Loa (eye worm) hypothetical protein 0.0019 0.079 0.2777
Brugia malayi follicle stimulating hormone receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0039 0.2845 0.9472
Brugia malayi G protein-coupled receptor 0.0039 0.2845 0.9472
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0013 0.0233 0.0774
Brugia malayi neuropeptide F receptor 0.0039 0.2845 0.9472
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0107 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0028 0.1759 0.1472
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.2845 0.9472
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0039 0.2845 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0039 0.2845 0.9472
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0233 0.0774
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0013 0.0233 0.0774
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0028 0.1759 0.5858
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0013 0.0233 0.0774
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0013 0.0233 0.0817
Echinococcus multilocularis neuropeptide Y receptor 0.0039 0.2845 0.9472
Brugia malayi Cathepsin L-like precursor 0.0028 0.1759 0.5858
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0028 0.1759 0.6185
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0039 0.2845 0.9472
Schistosoma mansoni opsin-like receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis neuropeptide s receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis neuropeptide receptor A26 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0013 0.0233 0.0774
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0039 0.2845 0.9472
Schistosoma mansoni biogenic amine receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Echinococcus multilocularis g-protein coupled receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0039 0.2845 0.9472
Loa Loa (eye worm) ACC-1 protein 0.0013 0.0233 0.0817
Brugia malayi Cathepsin L-like cysteine proteinase 0.0019 0.079 0.263
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Onchocerca volvulus 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0028 0.1759 0.6185
Echinococcus granulosus tachykinin peptides receptor 99D 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus multilocularis neuropeptide receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) LGC-31 protein 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0013 0.0233 0.0774
Onchocerca volvulus 0.0019 0.079 0.2777
Echinococcus granulosus cathepsin l1 0.0019 0.079 0.263
Onchocerca volvulus Putative nachr subunit 0.0013 0.0233 0.0817
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0013 0.0233 0.0817
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0013 0.0233 0.0817
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Brugia malayi Serotonin receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Echinococcus granulosus cathepsin L cysteine protease 0.0014 0.0337 0.1124
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0039 0.2845 1
Loa Loa (eye worm) neuropeptide F receptor 0.0039 0.2845 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0233 0.0774
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0039 0.2845 0.9472
Schistosoma mansoni myosin xvIII 0.0039 0.2845 0.9472
Schistosoma mansoni hypothetical protein 0.0039 0.2845 0.9472
Brugia malayi G-protein coupled receptor 0.0039 0.2845 0.9472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.079 0.263
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.1759 0.5858
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0039 0.2845 0.9472
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.1759 0.5334
Brugia malayi Cation transporter family protein 0.0013 0.0233 0.0774
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0028 0.1759 0.6185
Entamoeba histolytica hypothetical protein 0.004 0.3003 1
Onchocerca volvulus 0.0013 0.0233 0.0817
Brugia malayi putative neuropeptide receptor 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni hypothetical protein 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0013 0.0233 0.0817
Schistosoma mansoni neuropeptide receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) ctsf protein 0.0028 0.1759 0.6185
Echinococcus multilocularis neuropeptides capa receptor 0.0039 0.2845 0.9472
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.1759 0.5334
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.3003 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0013 0.0233 0.0774
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0039 0.2845 0.9472
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0013 0.0233 0.0774
Onchocerca volvulus 0.0039 0.2845 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0013 0.0233 0.0774
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Brugia malayi Cathepsin L-like precursor 0.0028 0.1759 0.5858
Brugia malayi Cathepsin L-like precursor 0.0028 0.1759 0.5858
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Echinococcus granulosus G protein coupled receptor 139 0.0039 0.2845 0.9472
Plasmodium vivax vivapain-2 0.0028 0.1759 1
Echinococcus granulosus orexin receptor type 2 0.0039 0.2845 0.9472
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0039 0.2845 0.9472
Echinococcus granulosus neuropeptide receptor 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0028 0.1759 0.6185
Echinococcus multilocularis cathepsin L cysteine protease 0.0028 0.1759 0.5858
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0028 0.1759 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Onchocerca volvulus 0.0028 0.1759 0.6185
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0013 0.0233 0.0774
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0019 0.079 0.2777
Schistosoma mansoni growth hormone secretagogue receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0039 0.2845 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0039 0.2845 0.9472
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0039 0.2845 1
Brugia malayi Melatonin receptor type 1A 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0013 0.0233 0.0774
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus granulosus glycine receptor subunit beta 0.0013 0.0233 0.0774
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.1759 1
Brugia malayi RE15519p 0.0039 0.2845 0.9472
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni amine GPCR 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus multilocularis serotonin receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0013 0.0233 0.0817
Echinococcus multilocularis neuropeptide receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) fibroinase 0.0028 0.1759 0.6185
Entamoeba histolytica cysteine protease, putative 0.0028 0.1759 0.5334
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.079 0.3182
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Loa Loa (eye worm) melatonin receptor type 1A 0.0039 0.2845 1
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Entamoeba histolytica hypothetical protein 0.004 0.3003 1
Schistosoma mansoni neuropeptide F-like receptor 0.0039 0.2845 0.9472
Onchocerca volvulus Cathepsin F homolog 0.0028 0.1759 0.6185
Echinococcus multilocularis sex peptide receptor 0.0039 0.2845 0.9472
Brugia malayi ORL1-like opioid receptor 0.0039 0.2845 0.9472
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0028 0.1759 1
Echinococcus multilocularis fmrfamide receptor 0.0039 0.2845 0.9472
Brugia malayi Cathepsin L-like precursor 0.0028 0.1759 0.5858
Brugia malayi Papain family cysteine protease containing protein 0.0028 0.1759 0.5858
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0013 0.0233 0.0774
Brugia malayi Tachykinin-like peptides receptor 99D 0.0039 0.2845 0.9472
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.079 0.1697
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni biogenic amine receptor 0.0039 0.2845 0.9472
Brugia malayi hypothetical protein 0.0039 0.2845 0.9472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.1759 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0233 0.0817
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0039 0.2845 0.9472
Echinococcus granulosus neuropeptide s receptor 0.0039 0.2845 0.9472
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0039 0.2845 0.9472
Brugia malayi Cathepsin L-like precursor 0.0019 0.079 0.263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.2845 0.9472
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Schistosoma mansoni opsin-like receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0039 0.2845 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Leishmania major cathepsin L-like protease 0.0107 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0098 0.9031 0.8997
Schistosoma mansoni amine GPCR 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0028 0.1759 0.6185
Echinococcus multilocularis cathepsin L cysteine protease 0.0028 0.1759 0.5858
Schistosoma mansoni nAChR subunit 0.0013 0.0233 0.0774
Schistosoma mansoni neuropeptide F-like receptor 0.0039 0.2845 0.9472
Brugia malayi Cation transporter family protein 0.0013 0.0233 0.0774
Schistosoma mansoni biogenic amine (5HT) receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0013 0.0233 0.0774
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Onchocerca volvulus 0.0039 0.2845 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0013 0.0233 0.0774
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus g-protein coupled receptor 0.0039 0.2845 0.9472
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0039 0.2845 0.9472
Echinococcus granulosus 7tm_1 domain containing protein 0.0039 0.2845 0.9472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0107 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0013 0.0233 0.0817
Loa Loa (eye worm) hypothetical protein 0.0019 0.079 0.2777
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.2845 0.9472
Onchocerca volvulus 0.0028 0.1759 0.6185
Brugia malayi AKH receptor 0.0039 0.2845 0.9472
Loa Loa (eye worm) hypothetical protein 0.0039 0.2845 1
Echinococcus granulosus dro:myosuppressin receptor 0.0039 0.2845 0.9472

Activities

Activity type Activity value Assay description Source Reference
KB (functional) = 74 nM Antagonist activity at human ADRA2C expressed in CHO cell membrane assessed as inhibition of epinephrine-induced [35S]GTPgammaS binding ChEMBL. 17034141
Kb (functional) = 74 nM Antagonist activity at human ADRA2C expressed in CHO cell membrane assessed as inhibition of epinephrine-induced [35S]GTPgammaS binding ChEMBL. 17034141
KB (functional) = 2440 nM Antagonist activity at human ADRA2A expressed in CHO cell membrane assessed as inhibition of epinephrine-induced [35S]GTPgammaS binding ChEMBL. 17034141
Kb (functional) = 2440 nM Antagonist activity at human ADRA2A expressed in CHO cell membrane assessed as inhibition of epinephrine-induced [35S]GTPgammaS binding ChEMBL. 17034141
KB (functional) = 3500 nM Antagonist activity at human ADRA2B expressed in CHO cell membrane assessed as inhibition of epinephrine-induced [35S]GTPgammaS binding ChEMBL. 17034141
Kb (functional) = 3500 nM Antagonist activity at human ADRA2B expressed in CHO cell membrane assessed as inhibition of epinephrine-induced [35S]GTPgammaS binding ChEMBL. 17034141
Ki (binding) = 7.076 Binding affinity to human cloned Alpha-2C adrenergic receptor ChEMBL. 21277656
Ki (binding) = 84 nM Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells ChEMBL. 17034141
Ki (binding) = 84 nM Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells ChEMBL. 17034141
Ki (binding) = 850 nM Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells ChEMBL. 17034141
Ki (binding) = 850 nM Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells ChEMBL. 17034141
Ki (binding) = 1320 nM Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells ChEMBL. 17034141
Ki (binding) = 1320 nM Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells ChEMBL. 17034141

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

2 literature references were collected for this gene.

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