Detailed information for compound 1769457

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.379 | Formula: C18H22N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOc1ccccc1c1onc(c1)C(=O)NC1CC1
  • InChi: 1S/C18H22N2O3/c1-2-3-6-11-22-16-8-5-4-7-14(16)17-12-15(20-23-17)18(21)19-13-9-10-13/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,19,21)
  • InChiKey: PVUCWLYFDTYGJC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 2 (macrophage) 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
Loa Loa (eye worm) hypothetical protein 0.0034 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0046 0.0219 0.0219
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.0771 0.0993
Onchocerca volvulus 0.0025 0.0031 0.107
Schistosoma mansoni hypothetical protein 0.0034 0.0114 0.0229
Loa Loa (eye worm) hypothetical protein 0.0054 0.0295 0.0295
Loa Loa (eye worm) K+ channel tetramerisation domain-containing protein 0.0025 0.0031 0.0031
Trypanosoma brucei btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0219 0.0283
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0158 0.0317
Mycobacterium ulcerans hypothetical protein 0.0026 0.0037 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0114 0.0229
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0219 0.0219
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0226 0.0454
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0091 0.0182
Schistosoma mansoni edp1-related 0.0025 0.0031 0.0062
Schistosoma mansoni hypothetical protein 0.0034 0.0114 0.0229
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0151 0.0303
Brugia malayi jmjC domain containing protein 0.0103 0.0742 0.1488
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0571 0.4984 1
Giardia lamblia PHD finger protein 15 0.0032 0.0091 0.5
Brugia malayi Bromodomain containing protein 0.0032 0.0091 0.0182
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Onchocerca volvulus 0.0025 0.0031 0.107
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0037 0.7179
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0226 0.0454
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0091 0.0091
Echinococcus granulosus potassium voltage gated channel protein 0.0046 0.0226 0.0454
Trypanosoma cruzi btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0046 0.0226 0.0454
Echinococcus granulosus potassium voltage gated channel protein 0.0046 0.0226 0.0454
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0226 0.0454
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.2125 0.4263
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0037 0.5
Trypanosoma cruzi btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Loa Loa (eye worm) hypothetical protein 0.0026 0.0037 0.0037
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.029 0.0582
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0226 0.0454
Onchocerca volvulus 0.0052 0.0278 0.9586
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0108 0.0786 0.1576
Loa Loa (eye worm) hypothetical protein 0.1124 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0037 0.7179
Schistosoma mansoni patched 1 0.0046 0.0219 0.044
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0052 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.0783 0.0783
Echinococcus multilocularis Niemann Pick C1 protein 0.0152 0.1185 0.1527
Brugia malayi Voltage-gated potassium channel, Shal-family (KCND, Kv4-like) alpha-subunit. C. elegans shl-1 ortholog 0.0025 0.0031 0.0062
Loa Loa (eye worm) hypothetical protein 0.0056 0.0313 0.0313
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0219 0.044
Trypanosoma brucei potassium voltage-gated channel, putative 0.0025 0.0031 0.5956
Schistosoma mansoni hypothetical protein 0.0074 0.0473 0.095
Echinococcus granulosus Niemann Pick C1 protein 0.0152 0.1185 0.2378
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0037 0.0075
Schistosoma mansoni hypothetical protein 0.0044 0.0204 0.041
Echinococcus multilocularis peregrin 0.0032 0.0091 0.0117
Echinococcus multilocularis potassium voltage gated channel protein 0.0046 0.0226 0.0292
Schistosoma mansoni hypothetical protein 0.0052 0.0278 0.0558
Loa Loa (eye worm) hypothetical protein 0.0106 0.0771 0.0771
Echinococcus granulosus potassium voltage gated channel protein 0.0571 0.4984 1
Loa Loa (eye worm) potassium channel tetramerisation domain containing 5 0.0025 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0032 0.0091 0.0182
Loa Loa (eye worm) hypothetical protein 0.0256 0.2125 0.2125
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0037 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.0031 0.5956
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.0783 0.1571
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0037 0.7179
Loa Loa (eye worm) hypothetical protein 0.0026 0.0037 0.0037
Echinococcus multilocularis protein dispatched 1 0.0052 0.0278 0.0358
Brugia malayi K+ channel tetramerisation domain containing protein 0.0025 0.0031 0.0062
Loa Loa (eye worm) K+ channel tetramerisation domain-containing protein 0.0025 0.0031 0.0031
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0031 0.0062
Brugia malayi hypothetical protein 0.0039 0.0158 0.0317
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0031 0.0062
Brugia malayi K+ channel tetramerisation domain containing protein 0.0025 0.0031 0.0062
Brugia malayi K+ channel tetramerisation domain containing protein 0.0025 0.0031 0.0062
Trypanosoma brucei BTB/POZ domain/Regulator of chromosome condensation (RCC1) repeat, putative 0.0025 0.0031 0.5956
Plasmodium falciparum phd finger protein, putative 0.0032 0.0091 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0114 0.0114
Trypanosoma cruzi btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0037 0.5
Trypanosoma cruzi potassium voltage-gated channel, putative 0.0025 0.0031 0.5956
Loa Loa (eye worm) hypothetical protein 0.1124 1 1
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0046 0.0226 0.0454
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1124 1 1
Loa Loa (eye worm) hypothetical protein 0.0571 0.4984 0.4984
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0114 0.0229
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0037 0.0075
Toxoplasma gondii K+ channel tetramerisation domain-containing protein 0.0025 0.0031 0.0031
Schistosoma mansoni voltage-gated potassium channel 0.0571 0.4984 1
Entamoeba histolytica hypothetical protein 0.0039 0.0158 0.1641
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0091 0.0091
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0114 0.0147
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Onchocerca volvulus 0.0026 0.0037 0.1289
Brugia malayi hypothetical protein 0.0256 0.2125 0.4263
Echinococcus multilocularis shaker cognate 0.0046 0.0226 0.0292
Onchocerca volvulus 0.0053 0.029 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0877 0.7761 1
Echinococcus multilocularis expressed conserved protein 0.01 0.0712 0.0918
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0219 0.044
Entamoeba histolytica hypothetical protein 0.0039 0.0158 0.1641
Trypanosoma brucei btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Echinococcus multilocularis voltage gated potassium channel 0.0046 0.0226 0.0292
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0037 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.0771 0.1546
Loa Loa (eye worm) voltage-gated potassium channel 0.0046 0.0226 0.0226
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.029 0.029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.0783 0.1571
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0203 0.0261
Echinococcus granulosus expressed conserved protein 0.01 0.0712 0.1429
Toxoplasma gondii hypothetical protein 0.1124 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0031 0.0062
Leishmania major hypothetical protein, conserved 0.0025 0.0031 0.5956
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0052 0.0052
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0114 0.0229
Onchocerca volvulus 0.0025 0.0031 0.107
Echinococcus multilocularis potassium voltage gated channel protein 0.0046 0.0226 0.0292
Echinococcus granulosus shaker cognate 0.0046 0.0226 0.0454
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0052 1
Trypanosoma brucei btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Onchocerca volvulus 0.0025 0.0031 0.107
Echinococcus granulosus BTB:POZ domain containing protein 0.0025 0.0031 0.0062
Toxoplasma gondii kelch repeat and K+ channel tetramerisation domain containing protein 0.0025 0.0031 0.0031
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0742 0.1488
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0114 0.0229
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0091 0.0182
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0158 0.0203
Loa Loa (eye worm) hypothetical protein 0.0108 0.0783 0.0783
Entamoeba histolytica hypothetical protein 0.0039 0.0158 0.1641
Echinococcus granulosus tumor protein p63 0.0365 0.312 0.626
Schistosoma mansoni hypothetical protein 0.0044 0.0204 0.041
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0571 0.4984 1
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0203 0.0407
Brugia malayi CHE-14 protein 0.0046 0.0219 0.044
Schistosoma mansoni potassium channel tetramerization domain-containing 0.0025 0.0031 0.0062
Trypanosoma cruzi btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0046 0.0226 0.0454
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0219 1
Echinococcus granulosus GPCR family 2 0.0034 0.0114 0.0229
Leishmania major potassium voltage-gated channel, putative 0.0025 0.0031 0.5956
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0546 0.4758 0.613
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0091 1
Leishmania major hypothetical protein, conserved 0.0025 0.0031 0.5956
Entamoeba histolytica hypothetical protein 0.0039 0.0158 0.1641
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0395 0.0395
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Echinococcus multilocularis BTB:POZ domain containing protein KCTD16 0.0025 0.0031 0.004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0114 0.0229
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0114 0.0147
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0037 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0151 0.0195
Echinococcus granulosus peregrin 0.0032 0.0091 0.0182
Echinococcus multilocularis potassium voltage gated channel protein 0.0571 0.4984 0.6422
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0473 0.0473
Echinococcus multilocularis GPCR, family 2 0.0034 0.0114 0.0147
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0091 0.0091
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0037 0.5
Echinococcus multilocularis transfer RNA-Gly 0.0046 0.0226 0.0292
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0052 0.3523
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0037 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.0771 0.1546
Trypanosoma cruzi btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0226 0.0454
Loa Loa (eye worm) hypothetical protein 0.0046 0.0226 0.0226
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0473 0.095
Onchocerca volvulus 0.0025 0.0031 0.107
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0046 0.0226 0.0454
Leishmania major hypothetical protein, conserved 0.0027 0.0052 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0037 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0037 0.5
Schistosoma mansoni hypothetical protein 0.0044 0.0204 0.041
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0046 0.0226 0.0292
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0151 0.0303
Schistosoma mansoni voltage-gated potassium channel 0.0571 0.4984 1
Echinococcus multilocularis BTB:POZ domain containing protein 0.0025 0.0031 0.004
Schistosoma mansoni hypothetical protein 0.0039 0.0158 0.0317
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0158 0.0317
Echinococcus granulosus BTB:POZ domain containing protein KCTD16 0.0025 0.0031 0.0062
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.2125 0.2738
Brugia malayi hypothetical protein 0.0027 0.0052 0.0105
Schistosoma mansoni vesicular amine transporter 0.0046 0.0226 0.0454
Trypanosoma brucei potassium voltage-gated channel, putative 0.0025 0.0031 0.5956
Brugia malayi jmjC domain containing protein 0.0038 0.0151 0.0303
Brugia malayi PHD-finger family protein 0.0032 0.0091 0.0182
Brugia malayi K+ channel tetramerisation domain containing protein 0.0025 0.0031 0.0062
Loa Loa (eye worm) potassium channel tetramerisation domain containing 3 0.0025 0.0031 0.0031
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0046 0.0226 0.0292
Loa Loa (eye worm) hypothetical protein 0.0026 0.0037 0.0037
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0742 0.0956
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0031
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0031 0.0062
Schistosoma mansoni survival motor neuron protein 0.0052 0.0278 0.0558
Echinococcus granulosus voltage gated potassium channel 0.0046 0.0226 0.0454
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0046 0.0226 0.0292
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0052 0.3523
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0046 0.0226 0.0454
Echinococcus multilocularis protein patched 0.0046 0.0219 0.0283
Loa Loa (eye worm) Kv4.2 voltage-gated potassium channel 0.0025 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0032 0.0091 0.0091
Echinococcus multilocularis tumor protein p63 0.0365 0.312 0.402
Schistosoma mansoni hypothetical protein 0.0034 0.0114 0.0229
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0278 0.0558
Trypanosoma cruzi potassium voltage-gated channel 0.0025 0.0031 0.5956
Loa Loa (eye worm) K+ channel tetramerisation domain-containing protein 0.0025 0.0031 0.0031
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.0771 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0151 0.0151
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0031 0.5956
Schistosoma mansoni hypothetical protein 0.0044 0.0204 0.041
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0549 0.1102
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0037 0.0075
Trypanosoma cruzi btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Onchocerca volvulus Alhambra homolog 0.0032 0.0091 0.3132
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0091 0.0117
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0226 0.0454
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0151 0.0303
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0052 0.3523
Trypanosoma brucei btb/poz domain containing protein, putative 0.0025 0.0031 0.5956
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0046 0.0226 0.0454
Brugia malayi mKIAA0176 protein 0.0025 0.0031 0.0062

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 1000 nM Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting ChEMBL. 23849204

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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