Detailed information for compound 334290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.804 | Formula: C17H20ClN2O5-
  • H donors: 4 H acceptors: 5 LogP: -1.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1ccccc1)N)N[C@@]1(CC[C@H]2[C@H]1[C@@H]2C(=O)O)C(=O)O.[Cl-]
  • InChi: 1S/C17H20N2O5.ClH/c18-11(8-9-4-2-1-3-5-9)14(20)19-17(16(23)24)7-6-10-12(13(10)17)15(21)22;/h1-5,10-13H,6-8,18H2,(H,19,20)(H,21,22)(H,23,24);1H/p-1/t10-,11-,12-,13-,17-;/m0./s1
  • InChiKey: HKJCQEUCIWCVEP-PJQCXLAHSA-M  


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
Onchocerca volvulus 0.0029 0.0083 0.0106
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Echinococcus multilocularis jumonji domain containing protein 0.0085 0.1143 0.1143
Onchocerca volvulus 0.0385 0.682 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0827 0.0817
Schistosoma mansoni sodium-dependent amino acid transporter 0.0065 0.0768 0.0768
Onchocerca volvulus 0.0065 0.0768 0.1113
Echinococcus granulosus serotonin transporter 0.0385 0.682 0.682
Brugia malayi jmjC domain containing protein 0.02 0.3325 0.3318
Schistosoma mansoni sodium/chloride dependent transporter 0.0065 0.0768 0.0768
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.0739 0.0739
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0055 0.057 0.056
Schistosoma mansoni hypothetical protein 0.0051 0.05 0.05
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.0739 0.0739
Echinococcus granulosus glycine receptor subunit alpha 1 0.0055 0.057 0.057
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.05 0.05
Giardia lamblia PHD finger protein 15 0.0061 0.069 1
Echinococcus multilocularis nAChR subunit 0.0055 0.057 0.057
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0065 0.0768 0.0759
Onchocerca volvulus 0.0267 0.4587 0.6721
Echinococcus multilocularis musashi 0.0029 0.0083 0.0083
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0055 0.057 0.057
Brugia malayi Pre-SET motif family protein 0.0235 0.3973 0.3967
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0055 0.057 0.057
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0055 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0055 0.057 0.057
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0055 0.057 0.057
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Schistosoma mansoni lamin 0.0029 0.0083 0.0083
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.021 0.021
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0933 0.0933
Echinococcus multilocularis peregrin 0.0061 0.069 0.069
Toxoplasma gondii PHD-finger domain-containing protein 0.0061 0.069 0.8685
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.2593 0.2585
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0827 0.0827
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0055 0.057 0.057
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0083 0.0072
Onchocerca volvulus 0.0065 0.0768 0.1113
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0576 0.0367
Loa Loa (eye worm) hypothetical protein 0.0385 0.682 0.6816
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0061 0.069 0.069
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0055 0.057 0.056
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.02 0.3325 0.3325
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0055 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 0.0091 0.0081
Loa Loa (eye worm) hypothetical protein 0.0061 0.0678 0.0668
Onchocerca volvulus 0.0065 0.0768 0.1113
Loa Loa (eye worm) PHD-finger family protein 0.0061 0.069 0.068
Loa Loa (eye worm) hypothetical protein 0.0033 0.0149 0.0139
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.057 0.056
Toxoplasma gondii PHD-finger domain-containing protein 0.0061 0.069 0.8685
Echinococcus granulosus tar DNA binding protein 0.0068 0.0827 0.0827
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0385 0.682 0.682
Onchocerca volvulus 0.0055 0.057 0.0822
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0055 0.057 0.057
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0827 0.0827
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0153 0.2429 0.2421
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.0739 0.0739
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Brugia malayi excitatory GABA receptor EXP-1A 0.0055 0.057 0.056
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0083 0.0072
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0055 0.057 0.056
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0065 0.0768 0.0759
Plasmodium falciparum transporter, putative 0.0065 0.0768 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0055 0.057 0.057
Schistosoma mansoni hypothetical protein 0.0111 0.1624 0.1624
Echinococcus granulosus PHD finger protein rhinoceros 0.0061 0.069 0.069
Loa Loa (eye worm) hypothetical protein 0.0034 0.0168 0.0158
Echinococcus granulosus lysine specific demethylase 5A 0.0074 0.0933 0.0933
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.05 0.05
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0153 0.2429 0.2429
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0091 0.0081
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Brugia malayi intermediate filament protein 0.0029 0.0083 0.0072
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) ACC-1 protein 0.0055 0.057 0.056
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.05 0.049
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0145 0.0145
Plasmodium vivax amine transporter, putative 0.0065 0.0768 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0093 0.1296 0.1296
Loa Loa (eye worm) jmjC domain-containing protein 0.0126 0.1923 0.1914
Echinococcus multilocularis nAChR subunit 0.003 0.0091 0.0091
Plasmodium falciparum phd finger protein, putative 0.0061 0.069 0.589
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Plasmodium vivax hypothetical protein, conserved 0.0061 0.069 0.8685
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Echinococcus granulosus lamin dm0 0.0029 0.0083 0.0083
Echinococcus granulosus sodium and chloride dependent glycine 0.0065 0.0768 0.0768
Onchocerca volvulus 0.0029 0.0083 0.0106
Schistosoma mansoni jumonji domain containing protein 0.0159 0.2545 0.2545
Loa Loa (eye worm) hypothetical protein 0.0111 0.1624 0.1616
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0055 0.057 0.057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0153 0.2429 0.2429
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Brugia malayi hypothetical protein 0.0055 0.0576 0.0567
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0768 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0065 0.0768 0.0768
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0091 0.0081
Brugia malayi Bromodomain containing protein 0.0061 0.069 0.068
Loa Loa (eye worm) RNA binding protein 0.0068 0.0827 0.0817
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0827 0.0827
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0065 0.0768 0.0768
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0051 0.05 0.049
Echinococcus granulosus intermediate filament protein 0.0029 0.0083 0.0083
Echinococcus granulosus synaptic vesicular amine transporter 0.0553 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0055 0.057 0.057
Entamoeba histolytica hypothetical protein 0.003 0.0091 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.3973 0.3967
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.05 0.049
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Trypanosoma brucei C-8 sterol isomerase, putative 0.0176 0.286 1
Leishmania major C-8 sterol isomerase-like protein 0.0176 0.286 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0055 0.057 0.056
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0065 0.0768 0.0768
Schistosoma mansoni acetylcholine receptor-related 0.0025 0.001 0.001
Brugia malayi RNA binding protein 0.0068 0.0827 0.0817
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0065 0.0768 0.0768
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.02 0.3325 0.3325
Brugia malayi PHD-finger family protein 0.0061 0.069 0.068
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0065 0.0768 0.0768
Loa Loa (eye worm) ACC-1 protein 0.0055 0.057 0.056
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.053 0.9555 0.9555
Echinococcus granulosus glycine receptor subunit beta 0.0055 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0105 0.1517 0.1508
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0153 0.2429 0.2429
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Onchocerca volvulus 0.0034 0.0168 0.0232
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0025 0.001 0.001
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0025 0.001 0.001
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0385 0.682 0.6816
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0055 0.057 0.056
Schistosoma mansoni nAChR subunit 0.0025 0.001 0.001
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0055 0.057 0.056
Treponema pallidum sodium- and chloride- dependent transporter 0.0385 0.682 0.5
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0065 0.0768 0.5
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.003 0.0091 0.0091
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0065 0.0768 0.0768
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0025 0.001 0.001
Echinococcus multilocularis transient receptor potential gamma protein 0.0096 0.1357 0.1357
Onchocerca volvulus 0.003 0.0091 0.0118
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0576 0.6801
Echinococcus multilocularis sodium and chloride dependent glycine 0.0065 0.0768 0.0768
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0055 0.057 0.056
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0168 0.0168
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0055 0.057 0.057
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Schistosoma mansoni neurotransmitter gated ion channel 0.0025 0.001 0.001
Brugia malayi Cation transporter family protein 0.0055 0.057 0.056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0153 0.2429 0.2429
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.049 0.049
Echinococcus multilocularis sodium and chloride dependent glycine 0.0065 0.0768 0.0768
Echinococcus granulosus transient receptor potential gamma protein 0.0096 0.1357 0.1357
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.05 0.05
Schistosoma mansoni transient receptor potential channel 0.0064 0.0739 0.0739
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0083 0.0072
Echinococcus multilocularis synaptic vesicular amine transporter 0.0553 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.049 0.049
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.057 0.056
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0055 0.057 0.057
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.057 0.056
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) hypothetical protein 0.0385 0.682 0.6816
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0055 0.057 0.057
Brugia malayi jmjC domain containing protein 0.0074 0.0933 0.0924
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.049 0.049
Onchocerca volvulus 0.0055 0.057 0.0822
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.049 0.5353
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Echinococcus granulosus lamin 0.0029 0.0083 0.0083
Echinococcus multilocularis serotonin transporter 0.0385 0.682 0.682
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Brugia malayi Cation transporter family protein 0.0055 0.057 0.056
Onchocerca volvulus 0.0055 0.057 0.0822
Schistosoma mansoni nAChR subunit 0.0025 0.001 0.001
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0055 0.057 0.056
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0576 0.0367
Toxoplasma gondii hypothetical protein 0.0065 0.0768 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Echinococcus multilocularis PHD finger protein rhinoceros 0.0061 0.069 0.069
Echinococcus granulosus GPCR family 2 0.0051 0.05 0.05
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0055 0.057 0.057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0168 0.0168
Leishmania major hypothetical protein, conserved 0.0055 0.0576 0.0367
Loa Loa (eye worm) hypothetical protein 0.0029 0.0083 0.0072
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0065 0.0768 1
Echinococcus granulosus tm gpcr rhodopsin 0.053 0.9555 0.9555
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0025 0.001 0.001
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0065 0.0768 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.2593 0.2585
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0153 0.2429 0.2429
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0055 0.057 0.056
Onchocerca volvulus 0.0055 0.057 0.0822
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0055 0.057 0.057
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0055 0.057 0.057
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0176 0.286 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.021 0.021
Schistosoma mansoni sodium/chloride dependent transporter 0.0066 0.0777 0.0777
Loa Loa (eye worm) serotonin transporter b 0.0385 0.682 0.6816
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.2593 0.2585
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0055 0.057 0.057
Echinococcus granulosus nAChR subunit 0.0055 0.057 0.057
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0385 0.682 0.6816
Toxoplasma gondii hypothetical protein 0.0065 0.0768 1
Brugia malayi Latrophilin receptor protein 2 0.0051 0.05 0.049
Schistosoma mansoni intermediate filament proteins 0.0029 0.0083 0.0083
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0065 0.0768 1
Brugia malayi Cation transporter family protein 0.0055 0.057 0.056
Brugia malayi Transient-receptor-potential like protein 0.0036 0.021 0.02
Schistosoma mansoni lamin 0.0029 0.0083 0.0083
Echinococcus granulosus geminin 0.0544 0.9825 0.9825
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0091 0.0091
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0168 0.0168
Echinococcus granulosus glycine receptor subunit beta 0.0055 0.057 0.057
Echinococcus multilocularis lamin 0.0029 0.0083 0.0083
Onchocerca volvulus Alhambra homolog 0.0061 0.069 0.0997
Schistosoma mansoni hypothetical protein 0.0544 0.9825 0.9825
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.003 0.0091 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0153 0.2429 0.2429
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Echinococcus granulosus sodium and chloride dependent glycine 0.0065 0.0768 0.0768
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.049 0.048
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0025 0.001 0.001
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0055 0.057 0.057
Schistosoma mansoni hypothetical protein 0.0544 0.9825 0.9825
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0827 0.0817
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0576 0.6801
Trichomonas vaginalis set domain proteins, putative 0.0267 0.4587 1
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.0739 0.0739
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0827 0.0817
Onchocerca volvulus 0.0055 0.057 0.0822
Schistosoma mansoni sodium/chloride dependent transporter 0.0385 0.682 0.682
Schistosoma mansoni vesicular amine transporter 0.0553 1 1
Echinococcus multilocularis GPCR, family 2 0.0051 0.05 0.05
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0065 0.0768 0.0768
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0055 0.057 0.056
Echinococcus granulosus peregrin 0.0061 0.069 0.069
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0065 0.0768 0.0759
Brugia malayi hypothetical protein 0.0036 0.0206 0.0196
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0168 0.0168
Schistosoma mansoni transient receptor potential channel 4 0.0096 0.1357 0.1357
Schistosoma mansoni transient receptor potential channel 0.0064 0.0739 0.0739
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.1624 0.1616
Loa Loa (eye worm) hypothetical protein 0.0029 0.0073 0.0062
Echinococcus multilocularis lamin dm0 0.0029 0.0083 0.0083
Echinococcus multilocularis geminin 0.0544 0.9825 0.9825
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Schistosoma mansoni acetylcholine receptor subunit beta 0.0025 0.001 0.001
Echinococcus multilocularis glycine receptor subunit beta 0.0055 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Loa Loa (eye worm) GABA receptor subunit 0.003 0.0091 0.0081
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0055 0.057 0.057
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0055 0.057 0.057
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0055 0.057 0.056
Loa Loa (eye worm) LGC-31 protein 0.0055 0.057 0.056
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0553 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.069 0.068
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.057 0.056
Brugia malayi TAR-binding protein 0.0068 0.0827 0.0817
Brugia malayi MAP kinase sur-1 0.0051 0.049 0.048
Schistosoma mansoni hypothetical protein 0.0051 0.05 0.05
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.0162 0.2593 0.2585
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0168 0.0168
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0055 0.0576 0.0567
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0055 0.057 0.056
Loa Loa (eye worm) norepinephrine transporter 0.0385 0.682 0.6816
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0176 0.286 0.2853
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0055 0.057 0.056
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0153 0.2429 0.2421
Schistosoma mansoni neurotransmitter gated ion channel 0.003 0.0091 0.0091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0153 0.2429 0.2429
Schistosoma mansoni hypothetical protein 0.0051 0.05 0.05
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0933 0.0933
Onchocerca volvulus 0.0055 0.057 0.0822
Loa Loa (eye worm) hypothetical protein 0.0096 0.1357 0.1348
Onchocerca volvulus Putative nachr subunit 0.0055 0.057 0.0822
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0055 0.057 0.057
Schistosoma mansoni hypothetical protein 0.0051 0.05 0.05
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.057 0.056
Schistosoma mansoni nAChR subunit 0.0055 0.057 0.057
Echinococcus multilocularis lysine specific demethylase 5A 0.0074 0.0933 0.0933
Plasmodium falciparum amino acid transporter, putative 0.0065 0.0768 1
Schistosoma mansoni hypothetical protein 0.0061 0.069 0.069
Loa Loa (eye worm) solute carrier family 6 member 4 0.0385 0.682 0.6816
Loa Loa (eye worm) hypothetical protein 0.0065 0.0768 0.0759
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Brugia malayi hypothetical protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Echinococcus granulosus glycine receptor subunit alpha 1 0.0055 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.0081
Loa Loa (eye worm) hypothetical protein 0.0036 0.021 0.02
Schistosoma mansoni neurotransmitter gated ion channel 0.0025 0.001 0.001
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0055 0.057 0.056
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.049 0.049
Echinococcus granulosus transient receptor potential ion channel A 0.0093 0.1296 0.1296
Brugia malayi Pre-SET motif family protein 0.0034 0.0168 0.0158
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Onchocerca volvulus 0.003 0.0091 0.0118
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0055 0.057 0.056
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0055 0.057 0.057
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0055 0.057 0.057
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0065 0.0768 0.0759
Loa Loa (eye worm) hypothetical protein 0.0176 0.286 0.2853
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0065 0.0768 0.0768
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0055 0.057 0.057
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0576 0.0367
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Loa Loa (eye worm) jmjC domain-containing protein 0.0074 0.0933 0.0924
Schistosoma mansoni transient receptor potential channel 0.0096 0.1357 0.1357
Loa Loa (eye worm) hypothetical protein 0.0055 0.057 0.056
Echinococcus granulosus nAChR subunit 0.003 0.0091 0.0091
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.049 0.049
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0055 0.057 0.056
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0827 0.0827
Echinococcus granulosus glycine receptor subunit alpha 1 0.0055 0.057 0.057
Echinococcus granulosus jumonji domain containing protein 0.0085 0.1143 0.1143
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.057 0.056

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 194 ng hr-1 ml-1 Area under concentration of compound in rats at a dose of 5 mg equiv 1/kg ChEMBL. 16078848
F (ADMET) = 71 % Oral bioavailability in rat (dose 5 mg equiv/kg) ChEMBL. 16078848
IC50 (functional) = 0.42 mM Inhibition of radiolabeled glycylsarcosine (Gly-Sar) uptake into Caco-2 cells done for 15 min at 37 degree C with compound ChEMBL. 16078848
IC50 (functional) = 0.52 mM Inhibition of radiolabeled glycylsarcosine (Gly-Sar) uptake into chinese hamster ovary cells transfected with human PepT1 (CHO/hPepT1) done for 5-20 min at 37 degree C with compound ChEMBL. 16078848
Plasma concentration (ADMET) = 1274 ng ml-1 Plasma concentration of LY354740 in rats after oral administraion of compound at a dose of 5 mg equiv 1/kg at 3 hr ChEMBL. 16078848
Plasma concentration (ADMET) = 1710 ng ml-1 Plasma concentration of LY354740 in rats after oral administraion of compound at a dose of 5 mg equiv 1/kg at 0.5 hr ChEMBL. 16078848
Plasma concentration (ADMET) = 2763 ng ml-1 Plasma concentration of LY354740 in rats after oral administraion of compound at a dose of 5 mg equiv 1/kg at 1 hr ChEMBL. 16078848

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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