Detailed information for compound 1292690

Basic information

Technical information
  • TDR Targets ID: 1292690
  • Name: ethyl N-[11-(3-diethylaminopropanoyl)-5,6-dih ydrobenzo[b][1]benzazepin-9-yl]carbamate
  • MW: 409.521 | Formula: C24H31N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1CC2
  • InChi: 1S/C24H31N3O3/c1-4-26(5-2)16-15-23(28)27-21-10-8-7-9-18(21)11-12-19-13-14-20(17-22(19)27)25-24(29)30-6-3/h7-10,13-14,17H,4-6,11-12,15-16H2,1-3H3,(H,25,29)
  • InChiKey: AFIYKNJKFJVVGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[11-(3-diethylamino-1-oxopropyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamic acid ethyl ester
  • N-[11-(3-diethylaminopropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-9-yl]carbamic acid ethyl ester
  • 83275-55-2
  • BAS 01947621
  • Oprea1_085000
  • ChemDiv1_027251
  • CBDivE_008885
  • BRN 4827823
  • Carbamic acid, (5-(3-(diethylamino)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester
  • Oprea1_687096
  • STOCK1S-10568

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 1, group I, member 3 Starlite/ChEMBL References
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi nuclear hormone receptor nuclear receptor subfamily 1, group I, member 3 340 aa 282 aa 24.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans lipase LipD 0.0043 0.0324 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0289 0.0453
Brugia malayi glutathione reductase 0.0042 0.0292 0.0728
Brugia malayi TAR-binding protein 0.0261 0.4013 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0808
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1439 0.3587
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0172 0.0428
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0324 0.0324
Echinococcus granulosus histone acetyltransferase MYST2 0.0113 0.1509 0.2363
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0324 0.0086
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0292 0.8809
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0113 0.1509 0.2363
Mycobacterium tuberculosis Conserved protein 0.0043 0.0324 0.0086
Brugia malayi beta-lactamase family protein 0.0043 0.0324 0.0808
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0292 0.8809
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0289 0.9881
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.1972 0.4914
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0172 0.0428
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0324 1
Schistosoma mansoni tar DNA-binding protein 0.0261 0.4013 0.4013
Entamoeba histolytica hypothetical protein 0.0078 0.0909 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0056 0.014
Echinococcus granulosus polycomb protein SCMH1 0.0099 0.1275 0.1996
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0292 0.0007
Schistosoma mansoni hypothetical protein 0.0075 0.0853 0.0853
Echinococcus multilocularis GPCR, family 2 0.0035 0.0172 0.0269
Echinococcus granulosus geminin 0.0205 0.3063 0.4796
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0324 0.0086
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0324 0.0086
Brugia malayi mbt repeat family protein 0.0099 0.1275 0.3178
Echinococcus multilocularis muscleblind protein 1 0.0159 0.2282 0.3573
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0324 0.0808
Plasmodium falciparum glutathione reductase 0.0042 0.0292 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0113 0.1509 0.376
Loa Loa (eye worm) RNA binding protein 0.0261 0.4013 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0105 0.1378 0.271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1972 0.3088
Echinococcus granulosus GPCR family 2 0.0035 0.0172 0.0269
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0095 0.1198 0.8292
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0324 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1972 0.1972
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0324 1
Echinococcus granulosus muscleblind protein 0.0159 0.2282 0.3573
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1972 0.3088
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0172 0.0269
Brugia malayi hypothetical protein 0.0078 0.0909 0.2266
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0909 0.1424
Loa Loa (eye worm) MBCTL1 0.0113 0.1509 0.376
Schistosoma mansoni ap endonuclease 0.0041 0.0289 0.0289
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0289 0.8704
Echinococcus multilocularis tar DNA binding protein 0.0261 0.4013 0.6283
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0289 0.8704
Schistosoma mansoni hypothetical protein 0.0078 0.0909 0.0909
Entamoeba histolytica hypothetical protein 0.0078 0.0909 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.4013 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1439 0.3587
Mycobacterium tuberculosis Probable dehydrogenase 0.0095 0.1198 0.2262
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0172 0.0269
Mycobacterium tuberculosis Probable oxidoreductase 0.0105 0.1378 0.271
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0099 0.1275 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0095 0.1198 0.2262
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0289 0.5
Schistosoma mansoni tar DNA-binding protein 0.0261 0.4013 0.4013
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0289 0.0721
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0113 0.1509 0.2363
Schistosoma mansoni hypothetical protein 0.0035 0.0172 0.0172
Onchocerca volvulus 0.0043 0.0324 0.2542
Plasmodium vivax glutathione reductase, putative 0.0042 0.0292 0.8809
Echinococcus multilocularis SAM and MBT domain containing protein 0.0099 0.1275 0.1996
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0324 1
Schistosoma mansoni sex comb on midleg homolog 0.0099 0.1275 0.1275
Loa Loa (eye worm) hypothetical protein 0.0159 0.2282 0.5686
Onchocerca volvulus 0.0043 0.0324 0.2542
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0095 0.1198 0.2262
Loa Loa (eye worm) hypothetical protein 0.0075 0.0853 0.2125
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0289 0.8704
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1972 0.3088
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0324 0.0324
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0324 0.0086
Brugia malayi beta-lactamase 0.0043 0.0324 0.0808
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0302 0.0472
Echinococcus multilocularis histone acetyltransferase MYST2 0.0113 0.1509 0.2363
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0853 0.2125
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0324 0.0086
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0105 0.1378 1
Loa Loa (eye worm) TAR-binding protein 0.0261 0.4013 1
Toxoplasma gondii thioredoxin reductase 0.0042 0.0292 0.8809
Toxoplasma gondii exonuclease III APE 0.0041 0.0289 0.8704
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0105 0.1378 0.271
Onchocerca volvulus 0.0043 0.0324 0.2542
Schistosoma mansoni sex comb on midleg homolog 0.0099 0.1275 0.1275
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4306 1
Brugia malayi beta-lactamase family protein 0.0043 0.0324 0.0808
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0808
Trichomonas vaginalis esterase, putative 0.0043 0.0324 1
Brugia malayi Thioredoxin reductase 0.0042 0.0292 0.0728
Echinococcus granulosus endonuclease exonuclease phosphatase 0.04 0.6386 1
Schistosoma mansoni hypothetical protein 0.0035 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0808
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0324 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0324 0.0086
Schistosoma mansoni hypothetical protein 0.0205 0.3063 0.3063
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0324 1
Loa Loa (eye worm) glutathione reductase 0.0042 0.0292 0.0728
Loa Loa (eye worm) mbt repeat family protein 0.0099 0.1275 0.3178
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0324 0.0808
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0324 1
Echinococcus multilocularis polycomb protein SCMH1 0.0099 0.1275 0.1996
Schistosoma mansoni hypothetical protein 0.0035 0.0172 0.0172
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0324 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0113 0.1509 0.1509
Schistosoma mansoni tar DNA-binding protein 0.0261 0.4013 0.4013
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.4013 1
Echinococcus multilocularis muscleblind protein 0.0159 0.2282 0.3573
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1972 0.1972
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0289 0.0453
Loa Loa (eye worm) hypothetical protein 0.0113 0.1509 0.376
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0324 0.0086
Echinococcus granulosus tar DNA binding protein 0.0261 0.4013 0.6283
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0289 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0099 0.1275 0.1275
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.0428
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0324 1
Schistosoma mansoni hypothetical protein 0.0035 0.0172 0.0172
Trypanosoma brucei trypanothione reductase 0.0042 0.0292 0.8809
Brugia malayi Muscleblind-like protein 0.0159 0.2282 0.5686
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0292 0.0728
Mycobacterium tuberculosis Conserved protein 0.0043 0.0324 0.0086
Mycobacterium ulcerans beta-lactamase 0.0043 0.0324 1
Plasmodium falciparum thioredoxin reductase 0.0042 0.0292 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0172 0.0428
Loa Loa (eye worm) hypothetical protein 0.0159 0.2282 0.5686
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0808
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0324 0.0086
Loa Loa (eye worm) hypothetical protein 0.0099 0.1275 0.3178
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.04 0.6386 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0324 0.0808
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0909 0.1424
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0324 0.0507
Entamoeba histolytica hypothetical protein 0.0078 0.0909 1
Leishmania major trypanothione reductase 0.0042 0.0292 0.8809
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0289 0.8704
Schistosoma mansoni hypothetical protein 0.0205 0.3063 0.3063
Schistosoma mansoni ap endonuclease 0.0041 0.0289 0.0289
Entamoeba histolytica hypothetical protein 0.0078 0.0909 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0099 0.1275 0.1996
Echinococcus multilocularis geminin 0.0205 0.3063 0.4796
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0095 0.1198 0.2262
Schistosoma mansoni tar DNA-binding protein 0.0261 0.4013 0.4013
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0289 0.0721
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0324 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1439 0.3587
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0095 0.1198 0.2262
Mycobacterium tuberculosis Probable reductase 0.0095 0.1198 0.2262
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0324 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0808
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.1972 0.4914
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0324 0.0507
Toxoplasma gondii ABC1 family protein 0.0043 0.0324 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1439 0.3587
Mycobacterium ulcerans hypothetical protein 0.0043 0.0324 1
Onchocerca volvulus 0.0099 0.1275 1
Schistosoma mansoni tar DNA-binding protein 0.0261 0.4013 0.4013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0172 0.0269
Leishmania major hypothetical protein, conserved 0.0043 0.0324 1
Brugia malayi hypothetical protein 0.0028 0.0056 0.014
Brugia malayi RNA binding protein 0.0261 0.4013 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1972 0.3088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0324 0.0808
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0289 0.8704
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0172 0.0269
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0909 0.0909
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0302 0.0472
Brugia malayi mbt repeat family protein 0.0099 0.1275 0.3178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1972 0.1972
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0289 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2430 nM Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET assay ChEMBL. 26717202
Potency (functional) = 1.5849 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) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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