Detailed information for compound 1090915

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.394 | Formula: C21H19N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1ncc2c(c1)c1[nH]c3c(c1CC2)C(=O)NCC3
  • InChi: 1S/C21H19N3O2/c1-26-14-5-2-12(3-6-14)18-10-16-13(11-23-18)4-7-15-19-17(24-20(15)16)8-9-22-21(19)25/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,25)
  • InChiKey: REVLWXOESFWXGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0217 0.7814 0.7814
Onchocerca volvulus 0.0042 0.1311 0.6694
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.1127 0.1127
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1367 0.9639
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.1127 0.1127
Echinococcus multilocularis survival motor neuron protein 1 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1727 0.2211
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0206 0.0264
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.1367 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0924 0.0924
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.1311 0.1677
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0206 0.0206
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.1367 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.1311 0.9452
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0388 0.0388
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0206 0.0206
Schistosoma mansoni inositol monophosphatase 0.0043 0.1367 0.1749
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1727 0.1727
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1311 0.9111
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0924 0.0924
Giardia lamblia NADH oxidase lateral transfer candidate 0.0015 0.0336 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.7814 1
Schistosoma mansoni hypothetical protein 0.0037 0.1127 0.1442
Loa Loa (eye worm) hypothetical protein 0.0079 0.2702 0.2702
Echinococcus multilocularis thioredoxin glutathione reductase 0.0045 0.1428 0.1428
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.1311 0.105
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.1311 0.105
Loa Loa (eye worm) hypothetical protein 0.0015 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0042 0.1311 0.1311
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0042 0.1311 0.1311
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.1127 0.1127
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0101 0.3502 0.3411
Loa Loa (eye worm) glutathione reductase 0.0044 0.1406 0.1406
Schistosoma mansoni intermediate filament proteins 0.0031 0.0924 0.1182
Schistosoma mansoni coup transcription factor 0.0012 0.0206 0.0264
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.1311 0.9452
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0206 0.0206
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.1367 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0206 0.0264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0206 0.0206
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0388 0.0388
Onchocerca volvulus 0.0031 0.0924 0.4349
Mycobacterium tuberculosis Probable oxidoreductase 0.0112 0.3919 0.386
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.1367 1
Echinococcus multilocularis musashi 0.0031 0.0924 0.0924
Echinococcus granulosus lamin 0.0031 0.0924 0.0924
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0217 0.7814 0.7814
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Conserved protein 0.0042 0.1311 0.105
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.1311 0.9111
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0336 0.0336
Mycobacterium tuberculosis Probable reductase 0.0101 0.3502 0.3411
Loa Loa (eye worm) hypothetical protein 0.0031 0.0902 0.0902
Plasmodium vivax glutathione reductase, putative 0.0044 0.1406 1
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.1311 0.105
Leishmania major hypothetical protein, conserved 0.0042 0.1311 0.9111
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0206 0.0206
Loa Loa (eye worm) thioredoxin reductase 0.0044 0.1406 0.1406
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0206 0.0264
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0206 0.0206
Brugia malayi nuclear receptor NHR-88 0.0012 0.0206 0.0206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1727 0.1727
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.1127 0.1127
Plasmodium vivax hypothetical protein, conserved 0.0042 0.1311 0.9111
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0101 0.3502 0.3411
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0336 0.0336
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1311 0.9452
Onchocerca volvulus 0.0031 0.0924 0.4349
Loa Loa (eye worm) hypothetical protein 0.0042 0.1311 0.1311
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1727 0.1727
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0101 0.3502 0.3411
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0206 0.0264
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.1127 0.1127
Mycobacterium ulcerans beta-lactamase 0.0042 0.1311 0.9452
Mycobacterium leprae Probable lipase LipE 0.0042 0.1311 0.0408
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0042 0.1311 0.1311
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0206 0.0206
Schistosoma mansoni hypothetical protein 0.0056 0.1856 0.2375
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0206 0.0206
Brugia malayi beta-lactamase family protein 0.0042 0.1311 0.1311
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0112 0.3919 0.386
Brugia malayi intermediate filament protein 0.0031 0.0924 0.0924
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0206 0.0264
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.1311 0.1311
Echinococcus granulosus thioredoxin glutathione reductase 0.0045 0.1428 0.1428
Mycobacterium ulcerans lipase LipD 0.0042 0.1311 0.9452
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1311 0.9452
Trypanosoma cruzi trypanothione reductase, putative 0.0044 0.1406 1
Brugia malayi ecdysteroid receptor 0.0012 0.0206 0.0206
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0186 0.0186
Treponema pallidum NADH oxidase 0.0015 0.0336 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.1311 0.1311
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.2702 0.2702
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.9618 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1367 0.9639
Leishmania major trypanothione reductase 0.0044 0.1406 1
Trichomonas vaginalis esterase, putative 0.0042 0.1311 0.9452
Schistosoma mansoni lamin 0.0031 0.0924 0.1182
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.12 0.093
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0044 0.1406 0.1152
Loa Loa (eye worm) inositol-1 0.0043 0.1367 0.1367
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1127 0.1127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0206 0.0206
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0336 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.1311 0.105
Echinococcus multilocularis GPCR, family 2 0.0037 0.1127 0.1127
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0112 0.3919 1
Schistosoma mansoni hypothetical protein 0.0037 0.1127 0.1442
Onchocerca volvulus 0.0042 0.1311 0.6694
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1367 0.9639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1727 0.2211
Plasmodium falciparum thioredoxin reductase 0.0044 0.1406 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0206 0.0206
Trypanosoma brucei trypanothione reductase 0.0044 0.1406 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Brugia malayi beta-lactamase 0.0042 0.1311 0.1311
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.1311 0.105
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0206 0.0206
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.1311 0.1677
Onchocerca volvulus 0.0042 0.1311 0.6694
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.1367 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.406 0.406
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0101 0.3502 0.8468
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0206 0.0206
Onchocerca volvulus 0.0056 0.1856 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0206 0.0264
Toxoplasma gondii thioredoxin reductase 0.0044 0.1406 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0326 0.0326
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1727 0.1727
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1727 0.1727
Loa Loa (eye worm) hypothetical protein 0.0042 0.1311 0.1311
Schistosoma mansoni hypothetical protein 0.0079 0.2702 0.3458
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0326 0.0326
Schistosoma mansoni hypothetical protein 0.0037 0.1127 0.1442
Plasmodium falciparum glutathione reductase 0.0044 0.1406 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0112 0.3919 0.386
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0924 0.0924
Echinococcus granulosus lamin dm0 0.0031 0.0924 0.0924
Echinococcus multilocularis lamin dm0 0.0031 0.0924 0.0924
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0206 0.0264
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0206 0.0264
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0206 0.0264
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.1856 0.1856
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.1311 0.9452
Brugia malayi steroid hormone receptor 0.0012 0.0206 0.0206
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0206 0.0264
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1727 0.1727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1727 0.2211
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Probable dehydrogenase 0.0101 0.3502 0.3411
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.1311 0.1311
Schistosoma mansoni inositol monophosphatase 0.0043 0.1367 0.1749
Toxoplasma gondii ABC1 family protein 0.0042 0.1311 0.9111
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0206 0.0206
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0206 0.0206
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0042 0.1311 0.1311
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.1367 0.1367
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0206 0.0206
Brugia malayi map kinase activated protein kinase protein 2 0.0217 0.7814 0.7814
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.406 0.406
Loa Loa (eye worm) hypothetical protein 0.0116 0.406 0.406
Brugia malayi Latrophilin receptor protein 2 0.0037 0.1127 0.1127
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0206 0.0206
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0336 0.043
Mycobacterium leprae conserved hypothetical protein 0.0042 0.1311 0.0408
Brugia malayi nuclear hormone receptor 0.0012 0.0206 0.0206
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.1311 0.9452
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1367 0.9639
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.1311 0.105
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0206 0.0264
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0206 0.0206
Brugia malayi Inositol-1 0.0043 0.1367 0.1367
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0101 0.3502 0.3411
Brugia malayi Thioredoxin reductase 0.0044 0.1406 0.1406
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.1311 0.1311
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0014 0.0305 0.0305
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0217 0.7814 0.7814
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0206 0.0206
Plasmodium vivax thioredoxin reductase, putative 0.0044 0.1406 1
Schistosoma mansoni hypothetical protein 0.0037 0.1127 0.1442
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0206 0.0264
Brugia malayi beta-lactamase family protein 0.0042 0.1311 0.1311
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Conserved protein 0.0042 0.1311 0.105
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0206 0.0206
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0206 0.0206
Mycobacterium tuberculosis Conserved protein 0.0042 0.1311 0.105
Echinococcus multilocularis lamin 0.0031 0.0924 0.0924
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1311 0.9111
Mycobacterium ulcerans hypothetical protein 0.0042 0.1311 0.9452
Schistosoma mansoni survival motor neuron protein 0.0056 0.1856 0.2375
Schistosoma mansoni lamin 0.0031 0.0924 0.1182
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0014 0.0305 0.0305
Echinococcus granulosus GPCR family 2 0.0037 0.1127 0.1127
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.1367 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.406 0.406
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1311 0.9452
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0206 0.0206
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0186 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0206 0.0206
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.1367 0.9639
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.1367 0.1367
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0924 0.0924
Loa Loa (eye worm) beta-lactamase 0.0042 0.1311 0.1311
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.1311 0.105
Brugia malayi glutathione reductase 0.0044 0.1406 0.1406
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0206 0.0206
Echinococcus granulosus intermediate filament protein 0.0031 0.0924 0.0924
Echinococcus granulosus survival motor neuron protein 1 0.0277 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.1127 0.1127
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0336 0.0336

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.08 uM Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis ChEMBL. 20591669
IC50 (functional) = 0.1 uM Inhibition of LPS-induced TNFalpha production in human PBMC preincubated for 30 mins measured after 3 hrs of LPS stimulation ChEMBL. 20591669
IC50 (binding) = 0.7 uM Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis ChEMBL. 20591669

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20591669

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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