Detailed information for compound 1159342

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.657 | Formula: C28H43N3O7
  • H donors: 7 H acceptors: 6 LogP: 0.02 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC(=O)O.OCc1cc(ccc1O)[C@H](CNCCCCCCOCCCCc1cccc(c1)NC(=O)N)O
  • InChi: 1S/C26H39N3O5.C2H4O2/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30;1-2(3)4/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33);1H3,(H,3,4)/t25-;/m0./s1
  • InChiKey: QASZJZYYUMSAOE-UQIIZPHYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 1 Starlite/ChEMBL References
Homo sapiens adrenoceptor beta 3 Starlite/ChEMBL References
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL References
Cavia porcellus Beta-2 adrenergic receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Beta-2 adrenergic receptor   418 aa 366 aa 33.1 %
Echinococcus granulosus orexin receptor type 2 Beta-2 adrenergic receptor   418 aa 370 aa 24.1 %
Onchocerca volvulus Beta-2 adrenergic receptor   418 aa 338 aa 19.5 %
Echinococcus multilocularis orexin receptor type 2 Beta-2 adrenergic receptor   418 aa 370 aa 24.3 %
Schistosoma mansoni biogenic amine (5HT) receptor Beta-2 adrenergic receptor   418 aa 366 aa 31.7 %
Onchocerca volvulus Beta-2 adrenergic receptor   418 aa 348 aa 19.8 %
Loa Loa (eye worm) hypothetical protein Beta-2 adrenergic receptor   418 aa 360 aa 23.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Beta-2 adrenergic receptor   418 aa 385 aa 33.5 %
Onchocerca volvulus Beta-2 adrenergic receptor   418 aa 352 aa 28.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Beta-2 adrenergic receptor   418 aa 341 aa 25.2 %
Onchocerca volvulus Phospholipase d-related homolog Beta-2 adrenergic receptor   418 aa 385 aa 22.9 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Beta-2 adrenergic receptor   418 aa 346 aa 33.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0727 0.0727
Trypanosoma brucei polo-like protein kinase 0.0094 0.2187 1
Brugia malayi MAP kinase sur-1 0.0052 0.0895 0.1365
Onchocerca volvulus 0.0232 0.6364 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.0594 0.0907
Brugia malayi steroid hormone receptor 0.0042 0.0594 0.0907
Giardia lamblia Kinase, PLK 0.0094 0.2187 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.2187 0.2187
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0042 0.0594 0.0594
Echinococcus multilocularis pyruvate kinase 0.0033 0.0337 0.0337
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0337 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.4026 0.6141
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0967 0.0967
Echinococcus granulosus GPCR family 2 0.0049 0.0819 0.0819
Brugia malayi nuclear hormone receptor 0.0042 0.0594 0.0907
Schistosoma mansoni hypothetical protein 0.0049 0.0819 0.0819
Brugia malayi Steroid receptor seven-up type 2 0.0042 0.0594 0.0907
Schistosoma mansoni kinase 0.0048 0.0791 0.0791
Brugia malayi nuclear receptor NHR-88 0.0042 0.0594 0.0907
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.022 0.022
Trichomonas vaginalis set domain proteins, putative 0.0232 0.6364 1
Toxoplasma gondii PAN domain-containing protein 0.0306 0.8594 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0333 0.0509
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0042 0.0594 0.0594
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.4026 0.6141
Plasmodium vivax importin-beta 2, putative 0.0033 0.0333 0.3121
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0895 0.1206
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0046 0.5
Echinococcus multilocularis pyruvate kinase 0.0026 0.0126 0.0126
Mycobacterium tuberculosis Probable reductase 0.0123 0.3058 0.8788
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0042 0.0594 0.0594
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0337 0.0942
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Leishmania major pyruvate kinase 0.0033 0.0337 0.1358
Loa Loa (eye worm) TK/ROR protein kinase 0.0049 0.0809 0.0809
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0594 0.0594
Leishmania major pyruvate kinase 0.0033 0.0337 0.1358
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0042 0.0594 0.0594
Toxoplasma gondii PAN domain-containing protein 0.0306 0.8594 1
Schistosoma mansoni hypothetical protein 0.0049 0.0809 0.0809
Toxoplasma gondii thioredoxin reductase 0.0054 0.0967 0.1077
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0042 0.0594 0.0594
Schistosoma mansoni thyroid hormone receptor 0.0042 0.0594 0.0594
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0895 0.0895
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0042 0.0594 0.0594
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0727 0.0727
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0042 0.0594 0.0594
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.0594 0.0907
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.2187 1
Entamoeba histolytica hypothetical protein 0.0027 0.0144 0.0515
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0967 0.0967
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0042 0.0594 0.0609
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0337 0.3158
Echinococcus granulosus tissue type plasminogen activator 0.0049 0.0809 0.0809
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0727 0.0727
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.6556 0.6556
Loa Loa (eye worm) glutathione reductase 0.0054 0.0967 0.0967
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0337 0.0514
Schistosoma mansoni hypothetical protein 0.0049 0.0819 0.0819
Onchocerca volvulus 0.0049 0.0809 0.0958
Brugia malayi Thioredoxin reductase 0.0054 0.0967 0.1475
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.022 0.0204
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0819 0.0819
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0337 0.019
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.2187 0.2187
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0967 0.4025
Echinococcus granulosus importin subunit beta 1 0.0033 0.0333 0.0333
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0727 0.1108
Plasmodium falciparum thioredoxin reductase 0.0054 0.0967 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Onchocerca volvulus 0.0042 0.0594 0.0609
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0819 0.0819
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0042 0.0594 0.0594
Onchocerca volvulus 0.0084 0.1865 0.2677
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Schistosoma mansoni hypothetical protein 0.0344 0.9749 0.9749
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0042 0.0594 0.0907
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0042 0.0594 0.0594
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0042 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0033 0.0333 0.0333
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.4026 0.4026
Echinococcus granulosus FTZ F1 alpha 0.0042 0.0594 0.0594
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0895 0.0895
Loa Loa (eye worm) steroid hormone receptor 0.0042 0.0594 0.0594
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.3474 1
Brugia malayi glutathione reductase 0.0054 0.0967 0.1475
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.2187 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0049 0.0809 0.8286
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.3058 0.8788
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Schistosoma mansoni hypothetical protein 0.0049 0.0819 0.0819
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0895 0.0993
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.5511 0.5511
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.3058 0.8788
Schistosoma mansoni pyruvate kinase 0.0033 0.0337 0.0337
Schistosoma mansoni retinoic acid receptor RXR 0.0042 0.0594 0.0594
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0042 0.0594 0.0594
Schistosoma mansoni steroid hormone receptor ad4bp 0.0042 0.0594 0.0594
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0337 0.034
Loa Loa (eye worm) hypothetical protein 0.0023 0.0034 0.0034
Brugia malayi Pre-SET motif family protein 0.0029 0.022 0.0336
Echinococcus multilocularis tissue type plasminogen activator 0.0049 0.0809 0.0809
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0754 0.0979
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0895 0.0895
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0895 0.3672
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0819 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0042 0.0594 0.0907
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0337 0.0309
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0727 0.0727
Loa Loa (eye worm) hypothetical protein 0.0033 0.0337 0.0337
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0819 0.0819
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0819 0.1249
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0333 0.1342
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0967 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.2187 0.3336
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0333 0.1342
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0895 0.3014
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.022 0.022
Echinococcus multilocularis thyroid hormone receptor alpha 0.0042 0.0594 0.0594
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0337 0.0848
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0809 0.3253
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0337 0.0337
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.022 0.022
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0967 0.2686
Echinococcus multilocularis ecdysone induced protein 78C 0.0042 0.0594 0.0594
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0895 0.0895
Trypanosoma brucei protein kinase, putative 0.0052 0.0895 0.3963
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0337 0.0337
Echinococcus multilocularis geminin 0.0344 0.9749 0.9749
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0895 0.3963
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.2187 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.0594 0.0594
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0042 0.0594 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0042 0.0594 0.0594
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.0594 0.0907
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0042 0.0594 0.0907
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.3058 0.8788
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0594 0.0594
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0046 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.2542 0.3877
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0123 0.3058 0.8788
Onchocerca volvulus Protein ultraspiracle homolog 0.0042 0.0594 0.0609
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0337 0.019
Trypanosoma brucei trypanothione reductase 0.0054 0.0967 0.43
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.6556 0.6556
Loa Loa (eye worm) hypothetical protein 0.0029 0.022 0.022
Leishmania major importin beta-1 subunit, putative 0.0027 0.0144 0.0459
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0594 0.0594
Brugia malayi Protein kinase domain containing protein 0.0049 0.0809 0.1234
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0337 0.1358
Plasmodium falciparum pyruvate kinase 0.0033 0.0337 0.3158
Brugia malayi Kringle domain containing protein 0.0049 0.0809 0.1234
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0337 0.0309
Brugia malayi MH2 domain containing protein 0.0239 0.6556 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0895 0.3672
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0042 0.0594 0.0594
Plasmodium vivax glutathione reductase, putative 0.0054 0.0967 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0967 0.0967
Schistosoma mansoni thyroid hormone receptor 0.0042 0.0594 0.0594
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0819 0.1249
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.0594 0.0907
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0895 0.0895
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0337 0.1358
Schistosoma mansoni hypothetical protein 0.0106 0.2542 0.2542
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0106 0.2542 0.2542
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0042 0.0594 0.0594
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0895 0.3963
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.3058 0.8788
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0819 0.0819
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0895 0.3672
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0337 0.0514
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0049 0.0809 0.8286
Echinococcus multilocularis pyruvate kinase 0.0033 0.0337 0.0337
Schistosoma mansoni hypothetical protein 0.0049 0.0819 0.0819
Brugia malayi photoreceptor-specific nuclear receptor 0.0042 0.0594 0.0907
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Schistosoma mansoni coup transcription factor 0.0042 0.0594 0.0594
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.3474 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0337 0.0942
Echinococcus granulosus ecdysone induced protein 78C 0.0042 0.0594 0.0594
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.1865 0.1865
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0895 0.1206
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0594 0.0594
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0049 0.0809 0.0809
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0333 0.0336
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0895 0.1206
Plasmodium falciparum glutathione reductase 0.0054 0.0967 1
Schistosoma mansoni pyruvate kinase 0.0033 0.0337 0.0337
Brugia malayi ecdysteroid receptor 0.0042 0.0594 0.0907
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.022 0.022
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.2187 0.2187
Onchocerca volvulus Bile acid receptor homolog 0.0042 0.0594 0.0609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0042 0.0594 0.0594
Echinococcus granulosus pyruvate kinase 0.0033 0.0337 0.0337
Plasmodium falciparum importin beta, putative 0.0033 0.0333 0.3121
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.1865 0.1865
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0042 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0042 0.0594 0.0594
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.022 0.022
Echinococcus multilocularis snurportin 1 0.0353 1 1
Schistosoma mansoni importin beta-1 0.0033 0.0333 0.0333
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.1865 0.2845
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0754 0.0979
Echinococcus granulosus geminin 0.0344 0.9749 0.9749
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.3474 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0042 0.0594 0.0907
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.2187 0.2187
Leishmania major hypothetical protein, conserved 0.0049 0.0809 0.3563
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.022 0.022
Plasmodium vivax SET domain protein, putative 0.0029 0.022 0.1892
Schistosoma mansoni RAR-like nuclear receptor 0.0042 0.0594 0.0594
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0895 0.3963
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.1865 0.1865
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2187 0.3284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0727 0.0727
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0895 0.0895
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.0594 0.0907
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0042 0.0594 0.0594
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0727 0.0727
Echinococcus multilocularis FTZ F1 alpha 0.0042 0.0594 0.0594
Schistosoma mansoni hypothetical protein 0.0344 0.9749 0.9749
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.0594 0.0907
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0042 0.0594 0.0594
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0034 0.0034
Echinococcus multilocularis GPCR, family 2 0.0049 0.0819 0.0819
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0337 0.0337
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0042 0.0594 0.0907
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0594 0.0594
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0895 0.1206
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0042 0.0594 0.0907
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.3474 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0895 0.3672
Entamoeba histolytica hypothetical protein 0.0024 0.0046 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0042 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0155 0.4026 0.4026
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0042 0.0594 0.0594
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0337 0.0848
Loa Loa (eye worm) hypothetical protein 0.0084 0.1865 0.1865
Brugia malayi RNA, U transporter 1 0.0094 0.2175 0.3318
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0337 0.019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0727 0.0727
Brugia malayi Pre-SET motif family protein 0.0204 0.5511 0.8406
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0727 0.0727
Toxoplasma gondii kringle domain-containing protein 0.0049 0.0809 0.0892
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0333 0.0333
Schistosoma mansoni hypothetical protein 0.0353 1 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0337 0.0337
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.2187 0.3201
Chlamydia trachomatis pyruvate kinase 0.0033 0.0337 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0819 0.0819
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.0594 0.0907
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0188 0.0188
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.2187 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.3058 0.8788
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0042 0.0594 0.0907
Leishmania major trypanothione reductase 0.0054 0.0967 0.43

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 7.2 Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation ChEMBL. 21925889
EC50 (functional) = 8.1 Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation ChEMBL. 21925889
EC50 (functional) = 8.6 Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response ChEMBL. 21925889
EC50 (functional) = 9.1 Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation ChEMBL. 21925889
Intrinsic activity (functional) = 0.41 Intrinsic activity at at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation ChEMBL. 21925889
Ratio EC50 (functional) = 5 Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as duration of action expressed as rightward shift in the agonist concentration-effect curve following 1 hr of washout ChEMBL. 21925889
Ratio EC50 (functional) = 7 Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as duration of action expressed as rightward shift in the agonist concentration-effect curve following 3 hrs of washout ChEMBL. 21925889

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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