Detailed information for compound 316952

Basic information

Technical information
  • TDR Targets ID: 316952
  • Name: (2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5- dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1- yl]-3-naphthalen-2-ylpropanamide
  • MW: 536.664 | Formula: C33H36N4O3
  • H donors: 1 H acceptors: 4 LogP: 5.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)[C@@H](N1CCC(=O)N([C@H](C1=O)CC(C)C)Cc1cnc2c(c1)cccc2)Cc1ccc2c(c1)cccc2
  • InChi: 1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1
  • InChiKey: COVPLULNDBDXTN-KYJUHHDHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-[(3S)-3-isobutyl-2,5-dioxo-4-(3-quinolylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propanamide
  • (2S)-2-[(3S)-3-isobutyl-2,5-dioxo-4-(3-quinolylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthalenyl)propanamide
  • (2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-naphthalen-2-yl-propanamide
  • (2S)-2-[(3S)-3-isobutyl-2,5-diketo-4-(3-quinolylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, beta 2 (complement component 3 receptor 3 and 4 subunit) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
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
Schistosoma mansoni sodium-dependent amino acid transporter 0.0042 0.002 0.002
Trichomonas vaginalis CMGC family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.002 0.002
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0189 0.1422 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0177 0.1309 0.1358
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) hypothetical protein 0.0058 0.0169 0.0169
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0048 0.0081 0.0081
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.002 0.002
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.1422 0.1474
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0077 0.0352 0.0366
Brugia malayi Protein kinase domain containing protein 0.0065 0.024 0.024
Echinococcus granulosus glutamate receptor 2 0.0077 0.0352 0.0366
Schistosoma mansoni hypothetical protein 0.1051 0.9642 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0042 0.002 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus cyclin dependent kinase 9 0.0189 0.1422 0.1474
Brugia malayi Carboxylesterase family protein 0.0074 0.0326 0.0326
Onchocerca volvulus 0.0074 0.0326 0.156
Trichomonas vaginalis CMGC family protein kinase 0.0819 0.7426 1
Echinococcus multilocularis integrin beta 2 0.0322 0.2686 0.2786
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0189 0.1422 0.1211
Loa Loa (eye worm) hypothetical protein 0.0438 0.38 0.38
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0048 0.0081 0.0081
Echinococcus granulosus para nitrobenzyl esterase 0.0074 0.0326 0.0338
Schistosoma mansoni sodium/chloride dependent transporter 0.0049 0.009 0.0094
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) hypothetical protein 0.0058 0.0169 0.0169
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0077 0.0352 0.0366
Trichomonas vaginalis CMGC family protein kinase 0.0819 0.7426 1
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0189 0.1422 0.1211
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0189 0.1422 0.1422
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis dual specificity 0.0819 0.7426 0.7702
Entamoeba histolytica hypothetical protein 0.0182 0.1351 0.1546
Brugia malayi hypothetical protein 0.0048 0.0081 0.0081
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0048 0.0081 0.0084
Brugia malayi Cell division protein kinase 2 0.0189 0.1422 0.1422
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Brugia malayi hypothetical protein 0.0069 0.0277 0.0277
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CMGC family protein kinase 0.0819 0.7426 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.1051 0.9642 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0074 0.0326 0.0338
Loa Loa (eye worm) haspin protein kinase 0.1051 0.9642 0.9642
Brugia malayi cyclin-dependent kinase 7 homolog 0.0189 0.1422 0.1422
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0189 0.1422 0.1211
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Echinococcus multilocularis serotonin transporter 0.0248 0.198 0.2053
Echinococcus granulosus aryl hydrocarbon receptor 0.0069 0.0279 0.0289
Leishmania major serine/threonine kinase-like protein, putative 0.0189 0.1422 0.1211
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis neuroligin 0.0074 0.0326 0.0338
Onchocerca volvulus 0.0248 0.198 1
Onchocerca volvulus 0.0074 0.0326 0.156
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0042 0.002 0.002
Echinococcus granulosus serine:threonine protein kinase haspin 0.1051 0.9642 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0326 0.0338
Loa Loa (eye worm) carboxylesterase 0.0438 0.38 0.38
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Trypanosoma brucei C-8 sterol isomerase, putative 0.1089 1 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0069 0.0279 0.0279
Echinococcus multilocularis nmda type glutamate receptor 0.0117 0.0736 0.0763
Loa Loa (eye worm) serotonin transporter b 0.0248 0.198 0.198
Brugia malayi Protein kinase domain containing protein 0.0189 0.1422 0.1422
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0819 0.7426 0.7363
Echinococcus granulosus glutamate NMDA receptor subunit 0.0177 0.1309 0.1358
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0042 0.002 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0307 0.255 1
Brugia malayi Carboxylesterase family protein 0.0438 0.38 0.38
Schistosoma mansoni glutamate receptor AMPA 0.0065 0.0235 0.0244
Loa Loa (eye worm) hypothetical protein 0.0556 0.4925 0.4925
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Brugia malayi Glutamate receptor 2 precursor 0.0065 0.0235 0.0235
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.002 0.002
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0819 0.7426 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Echinococcus multilocularis carboxylesterase 5A 0.0438 0.38 0.3942
Trichomonas vaginalis CMGC family protein kinase 0.0189 0.1422 0.1544
Brugia malayi GSG2 0.1051 0.9642 0.9642
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CMGC family protein kinase 0.0819 0.7426 1
Loa Loa (eye worm) hypothetical protein 0.0248 0.198 0.198
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.002 0.002
Echinococcus multilocularis cyclin dependent kinase 9 0.0189 0.1422 0.1474
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0819 0.7426 0.7426
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0235 0.0244
Loa Loa (eye worm) hypothetical protein 0.0048 0.0079 0.0079
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0819 0.7426 0.7426
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0034 0.0034
Schistosoma mansoni neuroligin 3 (S09 family) 0.0074 0.0326 0.0338
Brugia malayi hypothetical protein 0.1051 0.9642 0.9642
Onchocerca volvulus 0.0069 0.0276 0.131
Loa Loa (eye worm) haspin protein kinase 0.1051 0.9642 0.9642
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0074 0.0326 0.0338
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.002 0.002
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0819 0.7426 0.7363
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.002 0.002
Echinococcus multilocularis acetylcholinesterase 0.0438 0.38 0.3942
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0307 0.255 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.1051 0.9642 1
Schistosoma mansoni ATP-binding cassette transporter 0.0065 0.0235 0.0244
Echinococcus granulosus integrin beta 2 0.0322 0.2686 0.2786
Echinococcus multilocularis hypothetical protein 0.0182 0.1351 0.1401
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.002 0.002
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.002 0.002
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.002 0.002
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.002 0.002
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.002 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis glutamate receptor 2 0.0065 0.0235 0.0244
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0077 0.0352 0.0366
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0044 0.0034 0.0034
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1089 1 1
Schistosoma mansoni acetylcholinesterase 0.0074 0.0326 0.0338
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0077 0.0352 0.0366
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0048 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0069 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.002 0.002
Brugia malayi Carboxylesterase family protein 0.0074 0.0326 0.0326
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0077 0.0352 0.0366
Echinococcus granulosus dual specificity 0.0819 0.7426 0.7702
Echinococcus granulosus glutamate receptor 2 0.0053 0.0124 0.0129
Loa Loa (eye worm) hypothetical protein 0.0069 0.0276 0.0276
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0069 0.0277 0.0277
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0326 0.0338
Schistosoma mansoni glutamate receptor AMPA 0.0065 0.0235 0.0244
Brugia malayi Carboxylesterase family protein 0.0074 0.0326 0.0326
Onchocerca volvulus 0.0074 0.0326 0.156
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Entamoeba histolytica cell division protein kinase 2, putative 0.0189 0.1422 0.1644
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0189 0.1422 0.1544
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0189 0.1422 0.1474
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0077 0.0352 0.0366
Trypanosoma brucei protein kinase, putative 0.0189 0.1422 0.1211
Trichomonas vaginalis CMGC family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus serine:threonine protein kinase haspin 0.1051 0.9642 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0074 0.0326 0.0338
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0189 0.1422 1
Echinococcus multilocularis dual specificity 0.0819 0.7426 0.7702
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis nmda type glutamate receptor 0.0105 0.0624 0.0648
Echinococcus granulosus serotonin transporter 0.0248 0.198 0.2053
Echinococcus granulosus serine:threonine protein kinase NLK 0.0189 0.1422 0.1474
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0248 0.198 0.2053
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Schistosoma mansoni glutamate receptor NMDA 0.017 0.1241 0.1287
Echinococcus multilocularis dual specificity 0.0065 0.024 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) hypothetical protein 0.0048 0.0079 0.0079
Loa Loa (eye worm) glutamate receptor 1 0.0065 0.0235 0.0235
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0248 0.198 0.198
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.002 0.002
Onchocerca volvulus 0.0074 0.0326 0.156
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Brugia malayi Carboxylesterase family protein 0.0438 0.38 0.38
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus dual specificity 0.0819 0.7426 0.7702
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0189 0.1422 0.1211
Loa Loa (eye worm) hypothetical protein 0.0248 0.198 0.198
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.002 0.002
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0182 0.1351 0.1401
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis glutamate receptor 2 0.0077 0.0352 0.0366
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) solute carrier family 6 member 4 0.0248 0.198 0.198
Trichomonas vaginalis serine/threonine kinase, putative 0.0189 0.1422 0.1544
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0438 0.38 0.3942
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.002 0.002
Onchocerca volvulus Protein cycle homolog 0.0048 0.0081 0.0314
Entamoeba histolytica protein kinase domain containing protein 0.0189 0.1422 0.1644
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0189 0.1422 0.1211
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0235 0.0244
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Loa Loa (eye worm) hypothetical protein 0.0048 0.0079 0.0079
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0042 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Treponema pallidum sodium- and chloride- dependent transporter 0.0248 0.198 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.002 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Brugia malayi Kelch motif family protein 0.0069 0.0277 0.0277
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0189 0.1422 0.1474
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0235 0.0244
Echinococcus granulosus dual specificity 0.0065 0.024 0.0249
Echinococcus multilocularis glutamate receptor 2 0.0053 0.0124 0.0129
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0065 0.024 0.024
Leishmania major C-8 sterol isomerase-like protein 0.1089 1 1
Echinococcus granulosus glutamate receptor NMDA 0.0093 0.0507 0.0526
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Loa Loa (eye worm) glutamate receptor 2 0.0065 0.0235 0.0235
Echinococcus granulosus nmda type glutamate receptor 0.0105 0.0624 0.0648
Loa Loa (eye worm) acetylcholinesterase 1 0.0438 0.38 0.38
Loa Loa (eye worm) norepinephrine transporter 0.0248 0.198 0.198
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0042 0.002 0.002
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0048 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.1089 1 1
Loa Loa (eye worm) carboxylesterase 0.0074 0.0326 0.0326
Brugia malayi hypothetical protein 0.0069 0.0276 0.0276
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.024 0.0249
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Trichomonas vaginalis CMGC family protein kinase 0.0819 0.7426 1
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus dual specificity 0.0819 0.7426 0.7702
Loa Loa (eye worm) hypothetical protein 0.0438 0.38 0.38
Loa Loa (eye worm) integrin beta-2 0.0439 0.3808 0.3808
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0189 0.1422 0.1422
Echinococcus multilocularis glutamate receptor NMDA 0.0093 0.0507 0.0526
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0286 0.2343 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.002 0.002
Echinococcus granulosus carboxylesterase 5A 0.0438 0.38 0.3942
Loa Loa (eye worm) hypothetical protein 0.0048 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Schistosoma mansoni serine/threonine kinase 0.0189 0.1422 0.1474
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.002 0.002
Schistosoma mansoni protein kinase 0.0189 0.1422 0.1474
Echinococcus multilocularis aryl hydrocarbon receptor 0.0069 0.0279 0.0289
Entamoeba histolytica protein kinase, putative 0.0819 0.7426 1
Echinococcus multilocularis dual specificity 0.0819 0.7426 0.7702
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0077 0.0352 0.0366
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis protein kinase atmrk1, putative 0.0189 0.1422 0.1544
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0042 0.002 0.002
Brugia malayi hypothetical protein 0.0042 0.002 0.002
Echinococcus granulosus mitogen activated protein kinase 15 0.0189 0.1422 0.1474
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.002 0.002
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus acetylcholinesterase 0.0438 0.38 0.3942
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.002 0.002
Trichomonas vaginalis AGC family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus acetylcholinesterase 0.0438 0.38 0.3942
Schistosoma mansoni gliotactin 0.0074 0.0326 0.0338
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis BC026374 protein (S09 family) 0.0074 0.0326 0.0338
Plasmodium falciparum MO15-related protein kinase 0.0189 0.1422 1
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Schistosoma mansoni hypothetical protein 0.0182 0.1351 0.1401
Onchocerca volvulus 0.0074 0.0326 0.156
Schistosoma mansoni integrin beta subunit 0.0253 0.2028 0.2103
Schistosoma mansoni serine/threonine protein kinase 0.0819 0.7426 0.7702
Loa Loa (eye worm) haspin protein kinase 0.1058 0.9712 0.9712
Schistosoma mansoni glutamate receptor NMDA 0.0177 0.1309 0.1358
Brugia malayi hypothetical protein 0.0048 0.0079 0.0079
Loa Loa (eye worm) carboxylesterase 0.0074 0.0326 0.0326
Echinococcus multilocularis acetylcholinesterase 0.0438 0.38 0.3942
Brugia malayi Glutamate receptor 1 precursor 0.0065 0.0235 0.0235
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CMGC family protein kinase 0.0189 0.1422 0.1544
Entamoeba histolytica protein kinase domain containing protein 0.0819 0.7426 1
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Schistosoma mansoni sodium/chloride dependent transporter 0.0248 0.198 0.2053
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0819 0.7426 0.7363
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0189 0.1422 0.1474
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0042 0.002 0.002
Echinococcus multilocularis para nitrobenzyl esterase 0.0074 0.0326 0.0338
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus granulosus BC026374 protein S09 family 0.0074 0.0326 0.0338
Echinococcus granulosus neuroligin 0.0074 0.0326 0.0338
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0326 0.0338
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CMGC family protein kinase 0.0819 0.7426 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0326 0.0326
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0077 0.0352 0.0366
Loa Loa (eye worm) hypothetical protein 0.0248 0.198 0.198
Brugia malayi Carboxylesterase family protein 0.0074 0.0326 0.0326
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Giardia lamblia Kinase, CMGC DYRK 0.0819 0.7426 1
Brugia malayi hypothetical protein 0.0074 0.0326 0.0326
Echinococcus granulosus nmda type glutamate receptor 0.0117 0.0736 0.0763
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.1422 0.1544
Echinococcus multilocularis serine:threonine protein kinase haspin 0.1051 0.9642 1
Brugia malayi Integrin beta pat-3 precursor 0.0439 0.3808 0.3808

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 69 nM In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1) ChEMBL. 15686945
IC50 (binding) = 69 nM In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1) ChEMBL. 15686945

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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