Detailed information for compound 1323080

Basic information

Technical information
  • TDR Targets ID: 1323080
  • Name: [2-[(4-chloro-3-morpholin-4-ylsulfonylphenyl) amino]-2-oxoethyl] 2-thiophen-3-ylacetate
  • MW: 458.936 | Formula: C18H19ClN2O6S2
  • H donors: 1 H acceptors: 4 LogP: 1.7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl)COC(=O)Cc1cscc1
  • InChi: 1S/C18H19ClN2O6S2/c19-15-2-1-14(10-16(15)29(24,25)21-4-6-26-7-5-21)20-17(22)11-27-18(23)9-13-3-8-28-12-13/h1-3,8,10,12H,4-7,9,11H2,(H,20,22)
  • InChiKey: KLWPKSCEGXMSPC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(4-chloro-3-morpholinosulfonyl-phenyl)amino]-2-oxo-ethyl] 2-(3-thienyl)acetate
  • 2-(3-thienyl)acetic acid [2-[(4-chloro-3-morpholinosulfonylphenyl)amino]-2-oxoethyl] ester
  • 2-(3-thienyl)acetic acid [2-[(4-chloro-3-morpholinosulfonyl-phenyl)amino]-2-keto-ethyl] ester
  • [2-[(4-chloro-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxo-ethyl] 2-thiophen-3-ylethanoate
  • T5326525
  • MLS000416554
  • SMR000243462

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0031 0.0185 0.243
Onchocerca volvulus 0.0031 0.0185 0.0185
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.218 0.218
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0124 0.218 0.3855
Brugia malayi Cathepsin L-like precursor 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0041 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0067 0.0954 0.0954
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Echinococcus multilocularis geminin 0.0205 0.3917 0.6823
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.218 0.3648
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Onchocerca volvulus Putative nachr subunit 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0031 0.0185 0.243
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.218 0.218
Loa Loa (eye worm) ctsf protein 0.0031 0.0185 0.0185
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0954 0.0954
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Schistosoma mansoni nAChR subunit 0.0057 0.0749 0.0749
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0124 0.218 0.3648
Brugia malayi Cathepsin L-like precursor 0.0031 0.0185 0.0185
Echinococcus granulosus cathepsin L cysteine proteinase 0.0031 0.0185 0.0327
Onchocerca volvulus 0.0124 0.218 0.218
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0057 0.0749 0.1031
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0124 0.218 0.3855
Brugia malayi Cathepsin L-like precursor 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.218 0.3855
Onchocerca volvulus 0.0031 0.0185 0.0185
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0124 0.218 0.218
Loa Loa (eye worm) ACC-1 protein 0.0124 0.218 0.218
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0124 0.218 0.218
Onchocerca volvulus Cathepsin L homolog 0.0031 0.0185 0.0185
Echinococcus multilocularis glycine receptor subunit beta 0.0124 0.218 0.3648
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0124 0.218 0.218
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0124 0.218 0.218
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0124 0.218 0.3855
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0058 0.076 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0058 0.076 0.076
Loa Loa (eye worm) hypothetical protein 0.0165 0.3063 0.3063
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0124 0.218 0.3855
Onchocerca volvulus 0.0031 0.0185 0.0185
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0124 0.218 0.3648
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Brugia malayi Cathepsin L-like precursor 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Onchocerca volvulus 0.0488 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Brugia malayi Cathepsin L-like precursor 0.0031 0.0185 0.0185
Onchocerca volvulus 0.0488 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0057 0.0749 0.0749
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0057 0.0749 0.0749
Entamoeba histolytica hypothetical protein 0.0067 0.0954 1
Toxoplasma gondii cathepsin B 0.0058 0.076 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0774 0.0774
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Brugia malayi Papain family cysteine protease containing protein 0.0031 0.0185 0.0185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0816 0.0816
Echinococcus multilocularis nAChR subunit 0.0124 0.218 0.3648
Echinococcus multilocularis nAChR subunit 0.0067 0.0954 0.1407
Schistosoma mansoni hypothetical protein 0.0205 0.3917 0.3917
Schistosoma mansoni hypothetical protein 0.0058 0.0774 0.0774
Onchocerca volvulus 0.0031 0.0185 0.0185
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0031 0.0185 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0031 0.0185 0.0185
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.218 0.3648
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.218 0.3855
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.218 0.218
Onchocerca volvulus 0.0031 0.0185 0.0185
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0124 0.218 0.218
Loa Loa (eye worm) ACC-1 protein 0.0124 0.218 0.218
Brugia malayi hypothetical protein 0.0286 0.5655 0.5655
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0286 0.5655 0.5655
Schistosoma mansoni acetylcholine receptor subunit beta 0.0057 0.0749 0.0749
Echinococcus multilocularis cathepsin b 0.0165 0.3063 0.5261
Trypanosoma cruzi cysteine peptidase, putative 0.0031 0.0185 0.0603
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0124 0.218 0.218
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.0185 0.1935
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0124 0.218 0.3855
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0057 0.0749 0.1324
Onchocerca volvulus 0.0067 0.0954 0.0954
Brugia malayi excitatory GABA receptor EXP-1A 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Trypanosoma cruzi cysteine peptidase, putative 0.0031 0.0185 0.0603
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Brugia malayi Cathepsin L-like precursor 0.0031 0.0185 0.0185
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Onchocerca volvulus 0.0057 0.0749 0.0749
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.218 0.218
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0124 0.218 0.3648
Onchocerca volvulus 0.0058 0.0774 0.0774
Loa Loa (eye worm) cysteine protease 0.0031 0.0185 0.0185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.0749 0.0749
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.3063 0.3063
Onchocerca volvulus Cathepsin F homolog 0.0031 0.0185 0.0185
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0124 0.218 0.3648
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0488 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0058 0.076 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0124 0.218 0.3855
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0124 0.218 0.218
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.0185 0.0185
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0058 0.076 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0124 0.218 0.3648
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0067 0.0954 0.0954
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0488 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0057 0.0749 0.0749
Loa Loa (eye worm) GABA receptor subunit 0.0067 0.0954 0.0954
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0165 0.3063 0.3063
Loa Loa (eye worm) hypothetical protein 0.0031 0.0185 0.0185
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0058 0.076 0.2482
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0124 0.218 0.3648
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.218 0.3648
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Onchocerca volvulus 0.0057 0.0749 0.0749
Brugia malayi hypothetical protein 0.0057 0.0749 0.0749
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5655 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0749 0.0749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Loa Loa (eye worm) hypothetical protein 0.0431 0.8774 0.8774
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0124 0.218 0.218
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0057 0.0749 0.1031
Brugia malayi hypothetical protein 0.0057 0.0749 0.0749
Echinococcus granulosus cathepsin l cysteine peptidase 0.0031 0.0185 0.0327
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Brugia malayi cathepsin B-like cysteine proteinase 0.0165 0.3063 0.3063
Brugia malayi hypothetical protein 0.0057 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Trypanosoma cruzi cysteine peptidase, putative 0.0031 0.0185 0.0603
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0124 0.218 0.3648
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0057 0.0749 0.0749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) LGC-31 protein 0.0124 0.218 0.218
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0031 0.0185 0.5
Echinococcus granulosus cathepsin b 0.0165 0.3063 0.5416
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0954 0.0954
Schistosoma mansoni neurotransmitter gated ion channel 0.0067 0.0954 0.0954
Onchocerca volvulus Cathepsin L homolog 0.0031 0.0185 0.0185
Brugia malayi Cation transporter family protein 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Schistosoma mansoni acetylcholine receptor-related 0.0057 0.0749 0.0749
Onchocerca volvulus 0.0124 0.218 0.218
Onchocerca volvulus 0.0067 0.0954 0.0954
Echinococcus granulosus nAChR subunit 0.0124 0.218 0.3855
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.218 0.218
Schistosoma mansoni nAChR subunit 0.0057 0.0749 0.0749
Echinococcus multilocularis glycine receptor subunit beta 0.0124 0.218 0.3648
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0057 0.0749 0.1031
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0057 0.0749 0.0749
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Entamoeba histolytica cysteine protease, putative 0.0031 0.0185 0.1935
Giardia lamblia Cathepsin B precursor 0.0058 0.076 0.5
Loa Loa (eye worm) acetylcholine receptor protein 0.0057 0.0749 0.0749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Onchocerca volvulus 0.0031 0.0185 0.0185
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0165 0.3063 1
Schistosoma mansoni hypothetical protein 0.0205 0.3917 0.3917
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Trypanosoma cruzi cruzipain precursor, putative 0.0031 0.0185 0.0603
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0067 0.0954 0.0954
Onchocerca volvulus 0.0057 0.0749 0.0749
Echinococcus granulosus glycine receptor subunit beta 0.0124 0.218 0.3855
Brugia malayi Cation transporter family protein 0.0124 0.218 0.218
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0124 0.218 0.3855
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.3063 0.3063
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Echinococcus granulosus cathepsin b 0.0165 0.3063 0.5416
Onchocerca volvulus 0.0488 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0031 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.006 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.0488 1 1
Echinococcus multilocularis cathepsin b 0.0165 0.3063 0.5261
Onchocerca volvulus 0.0031 0.0185 0.0185
Loa Loa (eye worm) cathepsin B 0.0058 0.076 0.076
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.0185 0.243
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.3063 0.3063
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0067 0.0954 0.0954
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.218 0.218
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5655 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0124 0.218 0.3855
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0124 0.218 0.218
Plasmodium falciparum cysteine proteinase falcipain 3 0.0031 0.0185 0.5
Onchocerca volvulus 0.0124 0.218 0.218
Giardia lamblia Cathepsin B precursor 0.0058 0.076 0.5
Giardia lamblia Cathepsin B precursor 0.0058 0.076 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0749 0.0749
Brugia malayi hypothetical protein 0.0057 0.0749 0.0749
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0749 0.0749
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.0185 0.1935
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0774 0.0774
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Brugia malayi hypothetical protein 0.0057 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Echinococcus granulosus geminin 0.0205 0.3917 0.6927
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Loa Loa (eye worm) hypothetical protein 0.0124 0.218 0.218
Echinococcus granulosus nAChR subunit 0.0067 0.0954 0.1688
Loa Loa (eye worm) hypothetical protein 0.0057 0.0749 0.0749
Echinococcus granulosus glycine receptor subunit beta 0.0124 0.218 0.3855
Loa Loa (eye worm) fibroinase 0.0031 0.0185 0.0185
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0407 0.0407
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0124 0.218 0.218
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.218 0.218
Schistosoma mansoni hypothetical protein 0.0041 0.0407 0.0407
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0816 0.0816
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.218 0.3855
Trypanosoma cruzi cysteine peptidase, putative 0.0031 0.0185 0.0603
Plasmodium vivax vivapain-2 0.0031 0.0185 0.5
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.0749 0.0749
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.0185 0.243
Echinococcus granulosus cathepsin l1 0.0031 0.0185 0.0327
Schistosoma mansoni nAChR subunit 0.0124 0.218 0.218
Plasmodium vivax vivapain-2 0.0031 0.0185 0.5
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0057 0.0749 0.1324
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.218 0.218
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0488 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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