Detailed information for compound 1379412

Basic information

Technical information
  • TDR Targets ID: 1379412
  • Name: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(2- ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acet amide
  • MW: 387.516 | Formula: C22H33N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1Oc2ccc(cc2N(C1=O)CC(=O)NCCN1C(C)CCCC1C)C
  • InChi: 1S/C22H33N3O3/c1-5-19-22(27)25(18-13-15(2)9-10-20(18)28-19)14-21(26)23-11-12-24-16(3)7-6-8-17(24)4/h9-10,13,16-17,19H,5-8,11-12,14H2,1-4H3,(H,23,26)
  • InChiKey: LUAXMFDQDVMEOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(2,6-dimethyl-1-piperidyl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
  • N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
  • N-[2-(2,6-dimethyl-1-piperidyl)ethyl]-2-(2-ethyl-3-keto-6-methyl-1,4-benzoxazin-4-yl)acetamide
  • N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)ethanamide
  • MLS000096164
  • N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
  • SMR000032112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein 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 MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis membrane associated guanylate kinase, WW and PDZ 0.0044 0.0433 0.0499
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0679 0.0805
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0148 0.2268 0.2776
Schistosoma mansoni hypothetical protein 0.0055 0.0632 0.0808
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Echinococcus granulosus glycine receptor subunit alpha 1 0.0148 0.2268 0.2776
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.048 0.809 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.2276 0.2252
Brugia malayi Peripheral plasma membrane protein CASK 0.0022 0.0062 0.0031
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0431 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0332 0.0608
Brugia malayi endoprotease bli-4 precursor 0.0464 0.7821 0.7814
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0148 0.2268 0.2244
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0068 0.0867 0.1038
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0431 0.0795
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0421 0.7061 0.7052
Brugia malayi hypothetical protein 0.0068 0.0867 0.0839
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.008 0.1069 0.1041
Echinococcus granulosus 3'partial|membrane associated guanylate kinase ww and pdz 0.0044 0.0433 0.0499
Brugia malayi hypothetical protein 0.0068 0.0867 0.0839
Loa Loa (eye worm) GABA receptor subunit 0.008 0.1069 0.1041
Mycobacterium ulcerans putative transglutaminase-like protein 0.0038 0.0332 0.7324
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0148 0.2268 0.2244
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0421 0.7061 0.7052
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0148 0.2268 0.2244
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0148 0.2268 0.29
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0679 0.0869
Onchocerca volvulus 0.0022 0.0062 0.0004
Loa Loa (eye worm) proprotein convertase 2 0.0123 0.1829 0.1804
Loa Loa (eye worm) hypothetical protein 0.0421 0.7061 0.7052
Onchocerca volvulus 0.0043 0.0431 0.0532
Brugia malayi excitatory GABA receptor EXP-1A 0.0148 0.2268 0.2244
Brugia malayi mbt repeat family protein 0.0058 0.0679 0.0651
Loa Loa (eye worm) hypothetical protein 0.0175 0.2745 0.2723
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Echinococcus multilocularis G protein coupled receptor 139 0.0138 0.209 0.2555
Echinococcus multilocularis nAChR subunit 0.0148 0.2268 0.2776
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.0043 0.0431 0.0402
Schistosoma mansoni hypothetical protein 0.0101 0.1438 0.1838
Echinococcus multilocularis membrane associated guanylate kinase ww and pdz 0.0044 0.0433 0.0499
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0022 0.0059 0.0075
Loa Loa (eye worm) hypothetical protein 0.0043 0.0431 0.0402
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Mycobacterium tuberculosis Conserved protein 0.0043 0.0431 0.083
Mycobacterium ulcerans hypothetical protein 0.0038 0.0332 0.7324
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0044 0.0433 0.0553
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0148 0.2268 0.2776
Schistosoma mansoni acetylcholine receptor subunit beta 0.0068 0.0867 0.1109
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0164 0.2542 0.2519
Schistosoma mansoni growth factor receptor-bound protein 0.0046 0.0467 0.0598
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.3653 0.4495
Plasmodium falciparum subtilisin-like protease 2 0.0022 0.0059 0.5
Echinococcus granulosus GPCR family 2 0.0055 0.0632 0.0746
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0431 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0068 0.0867 0.1038
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0431 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.4682 0.5771
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.048 0.809 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Loa Loa (eye worm) latrophilin receptor protein 2 0.0055 0.0632 0.0603
Mycobacterium ulcerans hypothetical protein 0.0038 0.0332 0.7324
Schistosoma mansoni ATP-dependent RNA Helicase 0.0021 0.0031 0.0039
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0046 0.0467 0.0438
Loa Loa (eye worm) hypothetical protein 0.0055 0.0632 0.0603
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0148 0.2268 0.2244
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0148 0.2268 0.2244
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0148 0.2268 0.2776
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0148 0.2268 0.2776
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0431 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0217 0.3475 0.4443
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0431 1
Brugia malayi hypothetical protein 0.0286 0.4682 0.4665
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0421 0.7061 0.8722
Schistosoma mansoni MAGUK homolog 0.0021 0.0031 0.0039
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) subtilase 0.0022 0.0059 0.0028
Mycobacterium ulcerans hypothetical protein 0.0043 0.0431 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.008 0.1069 0.1041
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Echinococcus multilocularis neuropeptide receptor 0.0138 0.209 0.2555
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Loa Loa (eye worm) hypothetical protein 0.0588 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0164 0.2542 0.2519
Brugia malayi hypothetical protein 0.0068 0.0867 0.0839
Brugia malayi Guanylate kinase family protein 0.0022 0.0062 0.0031
Giardia lamblia High cysteine membrane protein Group 2 0.0166 0.2583 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0679 0.0805
Echinococcus multilocularis neuroendocrine convertase 2 0.0298 0.4906 0.6049
Schistosoma mansoni neuropeptide receptor 0.0138 0.209 0.2672
Echinococcus multilocularis glycine receptor subunit beta 0.0148 0.2268 0.2776
Echinococcus multilocularis growth factor receptor bound protein 2 0.0046 0.0467 0.0542
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0148 0.2268 0.2244
Schistosoma mansoni hypothetical protein 0.0058 0.0691 0.0883
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0431 0.083
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0022 0.0059 0.0028
Echinococcus multilocularis Furin 1 0.0123 0.1829 0.2231
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0679 0.0869
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0068 0.0867 0.1038
Schistosoma mansoni maguk P55 subfamily member 26 0.0021 0.0031 0.0039
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0819 0.0791
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.1578 0.1552
Mycobacterium tuberculosis Long conserved protein 0.0038 0.0332 0.0608
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Brugia malayi MH2 domain containing protein 0.0144 0.2199 0.2175
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0867 0.0839
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0148 0.2268 0.2776
Loa Loa (eye worm) hypothetical protein 0.0045 0.0451 0.0421
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0819 0.1048
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0068 0.0867 0.1038
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0431 0.083
Echinococcus multilocularis GPCR, family 2 0.0055 0.0632 0.0746
Schistosoma mansoni hypothetical protein 0.0055 0.0632 0.0808
Schistosoma mansoni hypothetical protein 0.0055 0.0632 0.0808
Loa Loa (eye worm) beta-lactamase 0.0043 0.0431 0.0402
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0148 0.2268 0.2244
Brugia malayi Cation transporter family protein 0.0217 0.3475 0.3455
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0464 0.7821 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0431 0.083
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0289 0.4744 0.5848
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0123 0.1829 0.2338
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0431 0.0795
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0022 0.0059 0.0028
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0819 0.0979
Echinococcus granulosus expressed protein 0.0098 0.139 0.1686
Onchocerca volvulus 0.0068 0.0867 0.1154
Echinococcus multilocularis nAChR subunit 0.008 0.1069 0.1288
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0819 0.0979
Echinococcus granulosus glycine receptor subunit alpha 1 0.0148 0.2268 0.2776
Echinococcus granulosus glycine receptor subunit beta 0.0148 0.2268 0.2776
Loa Loa (eye worm) hypothetical protein 0.0217 0.3475 0.3455
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0123 0.1829 0.3778
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0679 0.0805
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Brugia malayi hypothetical protein 0.0068 0.0867 0.0839
Echinococcus granulosus nAChR subunit 0.0148 0.2268 0.2776
Schistosoma mansoni hypothetical protein 0.035 0.5816 0.7436
Loa Loa (eye worm) TK/EGFR protein kinase 0.0087 0.1203 0.1176
Plasmodium falciparum subtilisin-like protease 3 0.0022 0.0059 0.5
Onchocerca volvulus 0.0043 0.0431 0.0532
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) hypothetical protein 0.0043 0.0431 0.0402
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0867 0.0839
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0819 0.0979
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0061 0.0734 0.0872
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0421 0.7061 0.8722
Onchocerca volvulus Putative nachr subunit 0.0421 0.7061 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0148 0.2268 0.2776
Brugia malayi Cation transporter family protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Onchocerca volvulus 0.0148 0.2268 0.3155
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.008 0.1069 0.1366
Echinococcus granulosus epidermal growth factor receptor 0.0087 0.1203 0.1455
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0148 0.2268 0.29
Echinococcus granulosus membrane associated guanylate kinase, WW and PDZ 0.0044 0.0433 0.0499
Schistosoma mansoni neurotransmitter gated ion channel 0.008 0.1069 0.1366
Mycobacterium ulcerans lipase LipD 0.0043 0.0431 1
Onchocerca volvulus 0.0217 0.3475 0.4879
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0431 1
Brugia malayi hypothetical protein 0.0068 0.0867 0.0839
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0068 0.0867 0.0839
Onchocerca volvulus 0.008 0.1069 0.1442
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.008 0.1069 0.1366
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0148 0.2268 0.2776
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0431 0.0402
Echinococcus granulosus Furin 1 0.0123 0.1829 0.2231
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0022 0.0059 0.0075
Schistosoma mansoni site-1 peptidase (S08 family) 0.0022 0.0059 0.0075
Schistosoma mansoni cell polarity protein 0.0021 0.0031 0.0039
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0148 0.2268 0.2244
Brugia malayi celfurPC protein 0.0364 0.6051 0.6039
Loa Loa (eye worm) hypothetical protein 0.0217 0.3475 0.3455
Mycobacterium tuberculosis Conserved protein 0.0038 0.0332 0.0608
Loa Loa (eye worm) LGC-31 protein 0.0148 0.2268 0.2244
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.3653 0.4495
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0421 0.7061 0.8722
Schistosoma mansoni hypothetical protein 0.0055 0.0632 0.0808
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0055 0.0632 0.0603
Echinococcus granulosus glycine receptor subunit alpha 1 0.0148 0.2268 0.2776
Mycobacterium leprae Conserved hypothetical protein 0.0038 0.0332 0.7324
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0431 0.0795
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0068 0.0867 0.0839
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0148 0.2268 0.2244
Onchocerca volvulus 0.0217 0.3475 0.4879
Echinococcus multilocularis glycine receptor subunit beta 0.0148 0.2268 0.2776
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Loa Loa (eye worm) ACC-1 protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Brugia malayi neuroendocrine convertase 1 precursor 0.0298 0.4906 0.489
Leishmania major hypothetical protein, conserved 0.0043 0.0431 1
Schistosoma mansoni nAChR subunit 0.0068 0.0867 0.1109
Loa Loa (eye worm) hypothetical protein 0.0044 0.0433 0.0403
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0148 0.2268 0.2244
Brugia malayi beta-lactamase 0.0043 0.0431 0.0402
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0148 0.2268 0.29
Onchocerca volvulus 0.0217 0.3475 0.4879
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0022 0.0059 0.0035
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0068 0.0867 0.1038
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0431 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0431 0.0552
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0679 0.0805
Mycobacterium leprae Probable lipase LipE 0.0043 0.0431 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0061 0.0734 0.0938
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0148 0.2268 0.2244
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0101 0.1438 0.2943
Brugia malayi beta-lactamase family protein 0.0043 0.0431 0.0402
Echinococcus granulosus nAChR subunit 0.008 0.1069 0.1288
Onchocerca volvulus 0.008 0.1069 0.1442
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0431 0.0795
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0068 0.0867 0.0839
Brugia malayi Subtilase family protein 0.0022 0.0059 0.0028
Onchocerca volvulus 0.0068 0.0867 0.1154
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2199 0.2175
Mycobacterium tuberculosis Conserved protein 0.0043 0.0431 0.083
Onchocerca volvulus 0.0043 0.0431 0.0532
Schistosoma mansoni survival motor neuron protein 0.0058 0.0691 0.0883
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0332 0.0608
Echinococcus multilocularis 0.0061 0.0734 0.0872
Echinococcus multilocularis epidermal growth factor receptor 0.0087 0.1203 0.1455
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0148 0.2268 0.2776
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.008 0.1069 0.1041
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0148 0.2268 0.2244
Toxoplasma gondii ABC1 family protein 0.0043 0.0431 1
Loa Loa (eye worm) acetylcholine receptor protein 0.0068 0.0867 0.0839
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) hypothetical protein 0.0066 0.0819 0.0791
Loa Loa (eye worm) hypothetical protein 0.0058 0.0679 0.0651
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0101 0.1438 0.2943
Trichomonas vaginalis hypothetical protein 0.0101 0.1438 0.2943
Schistosoma mansoni nAChR subunit 0.0068 0.0867 0.1109
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.4682 0.5771
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0028
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Brugia malayi mbt repeat family protein 0.0058 0.0679 0.0651
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0679 0.0886
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0431 0.0552
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0148 0.2268 0.29
Mycobacterium ulcerans beta-lactamase 0.0043 0.0431 1
Loa Loa (eye worm) endoprotease bli-4 0.0464 0.7821 0.7814
Loa Loa (eye worm) hypothetical protein 0.008 0.1069 0.1041
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0819 0.0979
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0431 0.0402
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0431 0.083
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0421 0.7061 0.8722
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0123 0.1829 0.3778
Mycobacterium ulcerans transglutaminase family protein 0.0038 0.0332 0.7324
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0431 0.0497
Echinococcus multilocularis expressed protein 0.0098 0.139 0.1686
Onchocerca volvulus 0.0148 0.2268 0.3155
Loa Loa (eye worm) ACC-1 protein 0.0148 0.2268 0.2244
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0123 0.1829 0.3778
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0148 0.2268 0.2244
Brugia malayi beta-lactamase family protein 0.0043 0.0431 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0431 0.083
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0148 0.2268 0.2776
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0289 0.4744 1
Plasmodium falciparum subtilisin-like protease 1 0.0022 0.0059 0.5
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0044 0.0433 0.0499
Schistosoma mansoni maguk P55 subfamily member 35 0.0021 0.0031 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Brugia malayi Furin-like cysteine rich region family protein 0.0087 0.1203 0.1176
Schistosoma mansoni tyrosine kinase 0.0087 0.1203 0.1539
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0421 0.7061 0.8722
Echinococcus granulosus neuropeptide receptor 0.0138 0.209 0.2555
Echinococcus granulosus Transglutaminase 0.0038 0.0332 0.0374
Loa Loa (eye worm) hypothetical protein 0.0043 0.0431 0.0402
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2199 0.2175
Schistosoma mansoni acetylcholine receptor-related 0.0068 0.0867 0.1109
Loa Loa (eye worm) hypothetical protein 0.0464 0.7821 0.7814
Onchocerca volvulus 0.0068 0.0867 0.1154
Schistosoma mansoni site-1 peptidase (S08 family) 0.0022 0.0059 0.0075
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0431 0.0795
Schistosoma mansoni hypothetical protein 0.0038 0.0332 0.0424
Echinococcus granulosus furin 0.0464 0.7821 0.9666
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4545 1
Brugia malayi Sex muscle abnormal protein 5 0.0046 0.0467 0.0438
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0148 0.2268 0.2244
Loa Loa (eye worm) hypothetical protein 0.0043 0.0431 0.0402
Brugia malayi Thioredoxin family protein 0.0038 0.0332 0.0302
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Onchocerca volvulus 0.0148 0.2268 0.3155
Trichomonas vaginalis esterase, putative 0.0043 0.0431 0.0795
Echinococcus multilocularis 0.0364 0.6051 0.747
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Echinococcus multilocularis Transglutaminase 0.0038 0.0332 0.0374
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0691 0.0662
Schistosoma mansoni MAGUK homolog 0.0021 0.0031 0.0039
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0123 0.1829 0.3778
Entamoeba histolytica hypothetical protein 0.008 0.1069 0.5
Echinococcus granulosus neuroendocrine convertase 2 0.0298 0.4906 0.6049
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0068 0.0867 0.0839
Brugia malayi Cation transporter family protein 0.0148 0.2268 0.2244
Brugia malayi proprotein convertase 2 0.0298 0.4906 0.489
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0148 0.2268 0.2244
Echinococcus granulosus growth factor receptor bound protein 2 0.0046 0.0467 0.0542
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0867 0.0839
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Onchocerca volvulus 0.0038 0.0332 0.0389
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0431 0.0497
Trichomonas vaginalis peptide N-glycanase, putative 0.0038 0.0332 0.0582
Onchocerca volvulus 0.0058 0.0679 0.0886
Mycobacterium leprae Conserved hypothetical protein 0.0038 0.0332 0.7324
Giardia lamblia Furin precursor putative serine protease 0.0101 0.1438 0.4913
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.008 0.1069 0.1041
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0431 0.083
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0431 0.083
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0217 0.3475 0.4443
Mycobacterium tuberculosis Hypothetical protein 0.0038 0.0332 0.0608
Schistosoma mansoni nAChR subunit 0.0148 0.2268 0.29
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0421 0.7061 0.8722
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Onchocerca volvulus 0.0058 0.0691 0.0902
Schistosoma mansoni growth factor receptor-bound protein 0.0046 0.0467 0.0598
Brugia malayi PDZ domain containing protein 0.0045 0.0451 0.0421
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0289 0.4744 0.5848
Loa Loa (eye worm) MBCTL1 0.0066 0.0819 0.0791
Brugia malayi Latrophilin receptor protein 2 0.0055 0.0632 0.0603
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0289 0.4744 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0148 0.2268 0.2776
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0123 0.1829 0.3778
Echinococcus granulosus glycine receptor subunit beta 0.0148 0.2268 0.2776
Echinococcus multilocularis membrane bound transcription factor site 1 0.0022 0.0059 0.0035
Loa Loa (eye worm) hypothetical protein 0.0148 0.2268 0.2244
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0055 0.0632 0.0746
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1438 0.2943
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0148 0.2268 0.2244
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0123 0.1829 0.3778
Loa Loa (eye worm) hypothetical protein 0.0286 0.4682 0.4665
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0679 0.0869
Mycobacterium tuberculosis Conserved protein 0.0043 0.0431 0.083
Schistosoma mansoni furin-1 (S08 family) 0.0198 0.3136 0.401
Schistosoma mansoni neurotransmitter gated ion channel 0.0068 0.0867 0.1109
Loa Loa (eye worm) hypothetical protein 0.0109 0.1578 0.1552
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0679 0.0651
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0055 0.0632 0.0746
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0068 0.0867 0.0839
Schistosoma mansoni neurotransmitter gated ion channel 0.0068 0.0867 0.1109
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0022 0.0059 0.0035
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0148 0.2268 0.2776
Loa Loa (eye worm) hypothetical protein 0.0043 0.0431 0.0402
Loa Loa (eye worm) hypothetical protein 0.0068 0.0867 0.0839
Echinococcus granulosus membrane bound transcription factor site 1 0.0022 0.0059 0.0035
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0101 0.1438 0.2943
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0148 0.2268 0.2776
Schistosoma mansoni hypothetical protein 0.0109 0.1578 0.2017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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

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

No literature references available for this target.

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