Detailed information for compound 66885

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 177.243 | Formula: C11H15NO
  • H donors: 1 H acceptors: 0 LogP: 1.68 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1C)CC(C2)N
  • InChi: 1S/C11H15NO/c1-7-10-6-9(12)5-8(10)3-4-11(7)13-2/h3-4,9H,5-6,12H2,1-2H3
  • InChiKey: SSAIRZJWCPUDBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0042 0.0386 0.0496
Plasmodium vivax hypothetical protein, conserved 0.0086 0.1065 1
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0582 0.1464
Loa Loa (eye worm) tubulin alpha 2 0.0042 0.0386 0.0496
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0582 1
Trypanosoma brucei beta tubulin 0.0029 0.0195 0.336
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.058 0.868 1
Echinococcus multilocularis tubulin subunit TubB 0.0054 0.0582 0.1464
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0582 0.1464
Brugia malayi amine oxidase, flavin-containing family protein 0.0159 0.2197 0.4297
Echinococcus granulosus tubulin alpha 3 chain 0.0054 0.0582 0.1464
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0582 0.1464
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0582 0.1464
Trypanosoma brucei alpha tubulin 0.0054 0.0582 1
Echinococcus granulosus alpha tubulin 0.0054 0.0582 0.1464
Trypanosoma cruzi UDP-galactopyranose mutase 0.0086 0.1065 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0029 0.0195 0.0124
Schistosoma mansoni Lysine-specific histone demethylase 1 0.02 0.2835 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.2009 0.3654
Echinococcus granulosus tubulin alpha 1C chain 0.0054 0.0582 0.1464
Echinococcus granulosus tubulin alpha chain 0.0054 0.0582 0.1464
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Trypanosoma brucei alpha tubulin 0.0054 0.0582 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0054 0.0582 0.1464
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0038 0.0327 0.5621
Schistosoma mansoni alpha tubulin 0.0054 0.0582 0.1464
Brugia malayi Tubulin alpha-2 chain 0.0054 0.0582 0.1138
Echinococcus multilocularis peroxisome assembly protein 26 0.0054 0.0582 0.1464
Schistosoma mansoni alpha tubulin 0.0054 0.0582 0.1464
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0582 1
Brugia malayi Tubulin alpha chain 0.0054 0.0582 0.1138
Loa Loa (eye worm) alpha-tubulin 0.0054 0.0582 0.0876
Echinococcus multilocularis tubulin alpha 1C chain 0.0054 0.0582 0.1464
Brugia malayi Tubulin gamma chain 0.0029 0.0195 0.0382
Loa Loa (eye worm) tubulin alpha chain 0.0054 0.0582 0.0876
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0582 0.1464
Loa Loa (eye worm) hypothetical protein 0.02 0.2835 0.5261
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0086 0.1065 1
Onchocerca volvulus CoRest homolog 0.0358 0.527 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0582 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0086 0.1065 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0582 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0582 0.1464
Plasmodium falciparum protoporphyrinogen oxidase 0.0086 0.1065 1
Plasmodium vivax hypothetical protein, conserved 0.0086 0.1065 1
Echinococcus multilocularis hypothetical protein 0.0054 0.0582 0.1464
Echinococcus granulosus lysine specific histone demethylase 1A 0.0086 0.1065 0.3295
Toxoplasma gondii alpha tubulin TUBA1 0.0054 0.0582 0.4442
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Plasmodium falciparum alpha tubulin 1 0.0054 0.0582 0.4442
Loa Loa (eye worm) beta-tubulin 0.0029 0.0195 0.0124
Trypanosoma brucei alpha tubulin 0.0054 0.0582 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.02 0.2835 1
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0582 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0582 0.1464
Echinococcus granulosus peroxisome assembly protein 26 0.0054 0.0582 0.1464
Echinococcus multilocularis tubulin alpha 3 chain 0.0054 0.0582 0.1464
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0582 0.1464
Loa Loa (eye worm) hypothetical protein 0.0038 0.0327 0.038
Giardia lamblia Alpha-tubulin 0.0054 0.0582 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.527 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0029 0.0195 0.0124
Loa Loa (eye worm) BEN-1 protein 0.0029 0.0195 0.0124
Trichomonas vaginalis tubulin epsilon chain, putative 0.0029 0.0195 0.336
Trichomonas vaginalis tubulin alpha chain, putative 0.0029 0.0195 0.336
Trypanosoma brucei alpha tubulin 0.0054 0.0582 1
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0582 0.1464
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0582 1
Echinococcus multilocularis 0.0086 0.1065 0.3295
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0054 0.0582 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0042 0.0386 0.664
Loa Loa (eye worm) tubulin alpha-3 chain 0.0038 0.0327 0.038
Trypanosoma brucei beta tubulin 0.0029 0.0195 0.336
Schistosoma mansoni amine oxidase 0.0086 0.1065 0.3295
Loa Loa (eye worm) alpha-tubulin 0.0054 0.0582 0.0876
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0582 0.1464
Trypanosoma brucei tubulin gamma chain 0.0029 0.0195 0.336
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0086 0.1065 0.5
Trypanosoma brucei beta tubulin 0.0029 0.0195 0.336
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0665 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0054 0.0582 0.4442
Brugia malayi Tubulin alpha-2 chain 0.0054 0.0582 0.1138
Trypanosoma brucei epsilon tubulin 0.0029 0.0195 0.336
Giardia lamblia Alpha-tubulin 0.0054 0.0582 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0054 0.0582 0.1464
Brugia malayi alpha-tubulin 0.0054 0.0582 0.1138
Loa Loa (eye worm) tubulin alpha 2 0.0042 0.0386 0.0496
Loa Loa (eye worm) hypothetical protein 0.0042 0.0386 0.0496
Trichomonas vaginalis tubulin beta chain, putative 0.0029 0.0195 0.336
Echinococcus granulosus tubulin alpha chain 0.0054 0.0582 0.1464
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0582 0.1464
Entamoeba histolytica tubulin alpha-1 chain 0.0054 0.0582 1
Brugia malayi Tubulin beta-1 chain 0.0029 0.0195 0.0382
Plasmodium vivax tubulin alpha chain, putative 0.0054 0.0582 0.4442
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0582 1
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0582 1
Trypanosoma brucei epsilon tubulin 0.0029 0.0195 0.336
Echinococcus granulosus tubulin alpha 1C chain 0.0054 0.0582 0.1464
Entamoeba histolytica tubulin alpha chain, putative 0.0054 0.0582 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0348 0.5113 1
Toxoplasma gondii alpha-tubulin I, putative 0.0054 0.0582 0.4442
Loa Loa (eye worm) hypothetical protein 0.0348 0.5113 0.9695
Loa Loa (eye worm) tubulin alpha chain 0.0054 0.0582 0.0876
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Trichomonas vaginalis tubulin epsilon chain, putative 0.0029 0.0195 0.336
Loa Loa (eye worm) hypothetical protein 0.0213 0.3022 0.5626
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0086 0.1065 1
Echinococcus granulosus tubulin alpha chain 0.0054 0.0582 0.1464
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0582 0.1464
Loa Loa (eye worm) tubulin beta-2A chain 0.0029 0.0195 0.0124
Loa Loa (eye worm) BEN-1 protein 0.0029 0.0195 0.0124
Loa Loa (eye worm) hypothetical protein 0.0086 0.1065 0.1817
Brugia malayi SWIRM domain containing protein 0.0213 0.3022 0.5912
Plasmodium falciparum alpha tubulin 2 0.0054 0.0582 0.4442
Loa Loa (eye worm) tubulin gamma chain 0.0029 0.0195 0.0124
Echinococcus granulosus tubulin subunit TubB 0.0054 0.0582 0.1464
Trypanosoma brucei epsilon tubulin 0.0029 0.0195 0.336
Chlamydia trachomatis protoporphyrinogen oxidase 0.0086 0.1065 0.5
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Echinococcus granulosus tubulin alpha 3 chain 0.0054 0.0582 0.1464
Leishmania major UDP-galactopyranose mutase 0.0086 0.1065 1
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Onchocerca volvulus 0.0213 0.3022 0.5736
Echinococcus granulosus tubulin alpha chain 0.0054 0.0582 0.1464
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0086 0.1065 0.3295
Brugia malayi beta-tubulin, identical 0.0029 0.0195 0.0382
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0086 0.1065 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0086 0.1065 1
Brugia malayi tubulin alpha chain - mouse 0.0054 0.0582 0.1138
Toxoplasma gondii histone lysine-specific demethylase 0.0086 0.1065 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.02 0.2835 1
Brugia malayi hypothetical protein 0.0086 0.1065 0.2083
Schistosoma mansoni alpha tubulin 0.0054 0.0582 0.1464
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0582 0.1464
Loa Loa (eye worm) tubulin alpha-2 chain 0.0054 0.0582 0.0876
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Trichomonas vaginalis tubulin gamma chain, putative 0.0029 0.0195 0.336
Trichomonas vaginalis tubulin gamma chain, putative 0.0029 0.0195 0.336
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0086 0.1065 1
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0582 0.1464
Trichomonas vaginalis tubulin gamma chain, putative 0.0029 0.0195 0.336
Schistosoma mansoni amine oxidase 0.0086 0.1065 0.3295
Loa Loa (eye worm) hypothetical protein 0.0054 0.0582 0.0876
Loa Loa (eye worm) hypothetical protein 0.02 0.2835 0.5261
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Brugia malayi tubulin alpha-2 chain 0.0054 0.0582 0.1138
Loa Loa (eye worm) hypothetical protein 0.0164 0.2277 0.4175
Leishmania major alpha tubulin 0.0054 0.0582 0.4442
Trichomonas vaginalis tubulin, putative 0.0029 0.0195 0.336
Echinococcus multilocularis protoporphyrinogen oxidase 0.0086 0.1065 0.3295
Trypanosoma brucei beta tubulin 0.0029 0.0195 0.336
Echinococcus granulosus tubulin alpha chain 0.0054 0.0582 0.1464
Plasmodium vivax tubulin alpha chain, putative 0.0054 0.0582 0.4442
Trichomonas vaginalis tubulin alpha chain, putative 0.0029 0.0195 0.336
Trypanosoma brucei beta tubulin 0.0029 0.0195 0.336
Loa Loa (eye worm) tubulin beta chain 0.0029 0.0195 0.0124

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.56 mg kg-1 Effective dose of the compound was evaluated for drug discrimination in I-trained rats, when given at a dose of 0.25 mg/kg ChEMBL. 1674539
ED50 (functional) = 0.81 mg kg-1 Effective dose of the compound was evaluated for drug discrimination in I-trained rats, when given at a dose of 0.25 mg/kg ChEMBL. 1674539
ED50 (functional) = 2.63 uM kg-1 Effective dose of the compound was evaluated for drug discrimination in I-trained rats , when given at a dose of 0.25 micro mol/kg ChEMBL. 1674539
ED50 (functional) = 3.77 uM kg-1 Effective dose of the compound was evaluated for drug discrimination in I-trained rats, when given at a dose of 1.16 micro mol/kg ChEMBL. 1674539
IC50 (functional) = 212 nM Compound was evaluated for the uptake inhibition of [3H]-5-HT in rats ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Hippocampus DA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Hippocampus DOPAC; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Hippocampus HVA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Hippocampus DA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Hippocampus DOPAC; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Hippocampus HVA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Hippocampus DA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Hippocampus DOPAC; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Hippocampus HVA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Hippocampus DA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Hippocampus DOPAC; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 0 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Hippocampus HVA; below the levels of detection ChEMBL. 1674539
Metabolite level (ADMET) = 35 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Frontal cortex DOPAC ChEMBL. 1674539
Metabolite level (ADMET) = 36 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Frontal cortex DOPAC ChEMBL. 1674539
Metabolite level (ADMET) = 40 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Frontal cortex DOPAC ChEMBL. 1674539
Metabolite level (ADMET) = 54 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Frontal cortex DOPAC ChEMBL. 1674539
Metabolite level (ADMET) = 59 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Frontal cortex HVA ChEMBL. 1674539
Metabolite level (ADMET) = 65 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Frontal cortex HVA ChEMBL. 1674539
Metabolite level (ADMET) = 74 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Frontal cortex HVA ChEMBL. 1674539
Metabolite level (ADMET) = 81 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Frontal cortex DA ChEMBL. 1674539
Metabolite level (ADMET) = 88 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Frontal cortex DA ChEMBL. 1674539
Metabolite level (ADMET) = 92 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Frontal cortex DA ChEMBL. 1674539
Metabolite level (ADMET) = 112 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Frontal cortex HVA ChEMBL. 1674539
Metabolite level (ADMET) = 113 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Frontal cortex DA ChEMBL. 1674539
Metabolite level (ADMET) = 146 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Frontal cortex 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 148 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Frontal cortex 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 210 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Frontal cortex 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 240 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Frontal cortex 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 256 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Hippocampus 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 256 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Frontal cortex 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 272 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Hippocampus 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 312 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Frontal cortex 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 312 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Hippocampus 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 316 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Frontal cortex 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 414 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Frontal cortex NE ChEMBL. 1674539
Metabolite level (ADMET) = 415 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Frontal cortex 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 434 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Hippocampus 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 434 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Hippocampus 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 462 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Hippocampus 5-HT ChEMBL. 1674539
Metabolite level (ADMET) = 476 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Hippocampus 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 509 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Frontal cortex NE ChEMBL. 1674539
Metabolite level (ADMET) = 518 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Hippocampus 5-HIAA ChEMBL. 1674539
Metabolite level (ADMET) = 558 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Frontal cortex NE ChEMBL. 1674539
Metabolite level (ADMET) = 568 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Frontal cortex NE ChEMBL. 1674539
Metabolite level (ADMET) = 583 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 20 mg/kg Hippocampus NE ChEMBL. 1674539
Metabolite level (ADMET) = 633 Momoamine and metabolic levels of the compound observed 1 week following acute dosing against,at a dose of 10 mg/kg Hippocampus NE ChEMBL. 1674539
Metabolite level (ADMET) = 646 Momoamine and metabolic levels of the compound observed at 3 h postdrug against, at a dose of 20 mg/kg Hippocampus NE ChEMBL. 1674539
Metabolite level (ADMET) = 716 Momoamine and metabolic levels of the compound observed 2 weeks following sub-acute dosing against Hippocampus NE ChEMBL. 1674539
No. of uptake sites (binding) = 13.6 Number of uptake sites for [3H]-paroxetine receptor binding after sub-acute dosing against Frontal cortex ChEMBL. 1674539
No. of uptake sites (binding) = 15.6 Number of uptake sites for [3H]-paroxetine receptor binding after sub-acute dosing against Hippocampus ChEMBL. 1674539
No. of uptake sites (binding) = 13.6 Number of uptake sites for [3H]-paroxetine receptor binding after sub-acute dosing against Frontal cortex ChEMBL. 1674539
No. of uptake sites (binding) = 15.6 Number of uptake sites for [3H]-paroxetine receptor binding after sub-acute dosing against Hippocampus ChEMBL. 1674539
SDL (functional) = 0 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 2.00 mg/kg in S-Amphetamine-Trained rats; no data ChEMBL. 1674539
SDL (functional) = 11 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 0.5 mg/kg in LDS-Trained rats ChEMBL. 1674539
SDL (functional) = 13 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 0.25 mg/kg ChEMBL. 1674539
SDL (functional) = 13 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 1.00 mg/kg in LDS-Trained rats ChEMBL. 1674539
SDL (functional) = 17 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 0.25 mg/kg in S-Amphetamine-Trained rats ChEMBL. 1674539
SDL (functional) = 25 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 0.5 mg/kg ChEMBL. 1674539
SDL (functional) = 33 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 0.5 mg/kg in S-Amphetamine-Trained rats ChEMBL. 1674539
SDL (functional) = 38 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 2.00 mg/kg in LDS-Trained rats ChEMBL. 1674539
SDL (functional) = 50 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 2.50 mg/kg in LDS-Trained rats ChEMBL. 1674539
SDL (functional) = 50 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 1.00 mg/kg in S-Amphetamine-Trained rats ChEMBL. 1674539
SDL (functional) = 75 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 1.00 mg/kg ChEMBL. 1674539
SDL (functional) = 100 % Percentage of non disrupted rats that selected the drug lever , when given at a dose of 2.00 mg/kg ChEMBL. 1674539

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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