Detailed information for compound 1388928

Basic information

Technical information
  • TDR Targets ID: 1388928
  • Name: N-[acetamido-(4-diethylaminophenyl)methyl]ace tamide
  • MW: 277.362 | Formula: C15H23N3O2
  • H donors: 2 H acceptors: 2 LogP: 1.34 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)C(NC(=O)C)NC(=O)C)CC
  • InChi: 1S/C15H23N3O2/c1-5-18(6-2)14-9-7-13(8-10-14)15(16-11(3)19)17-12(4)20/h7-10,15H,5-6H2,1-4H3,(H,16,19)(H,17,20)
  • InChiKey: VBLWJHDXDLUKAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[acetamido-(4-diethylaminophenyl)methyl]ethanamide
  • MLS000109297
  • SMR000105241
  • Oprea1_090132
  • CBMicro_005366
  • BIM-0005231.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.0107 0.2613
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0052 0.0034 0.0024
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0006 0.0247
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0107 0.4571
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0143 0.0175 0.0156
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.015 0.0185 0.0166
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.6456 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0107 0.4593
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0094 0.0099 0.4219
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0094 0.0099 0.2413
Plasmodium vivax SET domain protein, putative 0.0036 0.0008 0.0334
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0066 0.0056
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0037 0.001 0.025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0008 0.0335
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0066 0.2851
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0037 0.001 0.0438
Schistosoma mansoni hypothetical protein 0.0036 0.0008 0.035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0066 0.0056
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0037 0.001 0.0439
Mycobacterium ulcerans glycosyltransferase 0.0043 0.002 0.001
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Loa Loa (eye worm) hypothetical protein 0.0094 0.0099 0.2413
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0061 0.0047 0.2002
Plasmodium falciparum thioredoxin reductase 0.0056 0.004 0.1722
Brugia malayi Pre-SET motif family protein 0.0248 0.0339 0.8274
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0886 0.1331 0.1314
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0037 0.001 0.0438
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0034 0.083
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0128 0.0152 0.6519
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0066 0.2851
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0337 0.0476 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0886 0.1331 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0008 0.0335
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.015 0.0185 0.0166
Echinococcus multilocularis serotonin transporter 0.018 0.0233 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0129 0.0153 0.0133
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0066 0.2826
Chlamydia trachomatis dihydrofolate reductase 0.0052 0.0034 0.0708
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0886 0.1331 0.1314
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0008 0.0335
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.018 0.0233 1
Onchocerca volvulus 0.0037 0.001 0.0261
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0248 0.0339 0.8274
Echinococcus granulosus serotonin transporter 0.018 0.0233 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0107 0.4571
Brugia malayi thymidylate synthase 0.0128 0.0152 0.3709
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0181 0.0233 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.025
Brugia malayi Pre-SET motif family protein 0.0036 0.0008 0.019
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0094 0.0099 0.4219
Trichomonas vaginalis set domain proteins, putative 0.0283 0.0392 1
Brugia malayi hypothetical protein 0.0061 0.0047 0.1155
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.0107 1
Onchocerca volvulus 0.0128 0.0152 0.3873
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.0001 0.0022
Onchocerca volvulus 0.0094 0.0099 0.2519
Onchocerca volvulus 0.018 0.0233 0.594
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0052 0.0034 0.0014
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.004 0.1696
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0037 0.001 0.0408
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0037 0.001 0.0439
Plasmodium falciparum flap endonuclease 1 0.0031 0.0001 0.0031
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0037 0.001 0.0439
Plasmodium falciparum cysteine--tRNA ligase 0.0094 0.0099 0.4236
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.004 0.1722
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0037 0.001 0.0243
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0294 0.041 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.018 0.0233 0.569
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0066 0.2851
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0008 0.0335
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0181 0.0233 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0233 0.569
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.0107 0.4593
Brugia malayi Flap endonuclease-1 0.0031 0.0001 0.0018
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0037 0.001 0.0438
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0129 0.0153 0.0133
Mycobacterium ulcerans thymidylate synthase 0.0128 0.0152 0.0142
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.004 0.0981
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0094 0.0099 0.4219
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.6456 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.0107 0.2728
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0037 0.001 0.0408
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0034 0.083
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0094 0.0099 0.2413
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0337 0.0476 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0129 0.0153 0.0133
Leishmania major cysteinyl-tRNA synthetase, putative 0.0094 0.0099 0.4219
Mycobacterium tuberculosis Probable reductase 0.0129 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.018 0.0233 0.569
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0094 0.0099 0.4241
Loa Loa (eye worm) glutathione reductase 0.0056 0.004 0.0981
Schistosoma mansoni sodium/chloride dependent transporter 0.018 0.0233 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0037 0.001 0.0439
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0008 0.0199
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.004 0.1724
Loa Loa (eye worm) hypothetical protein 0.0036 0.0008 0.0199
Echinococcus granulosus thymidylate synthase 0.0128 0.0152 0.6519
Treponema pallidum sodium- and chloride- dependent transporter 0.018 0.0233 0.3555
Brugia malayi Thioredoxin reductase 0.0056 0.004 0.0981
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0204 0.0271 0.0261
Giardia lamblia Kinase, PLK 0.0099 0.0107 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.004 0.1724
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0037 0.001 0.0894
Loa Loa (eye worm) serotonin transporter b 0.018 0.0233 0.569
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0008 0.0335
Loa Loa (eye worm) thymidylate synthase 0.0128 0.0152 0.3709
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0034 0.083
Trypanosoma brucei trypanothione reductase 0.0056 0.004 0.1696
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0129 0.0153 0.0133
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0037 0.001 0.0894
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0008 0.0335
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0181 0.0233 1
Plasmodium vivax cysteine--tRNA ligase, putative 0.0094 0.0099 0.4236
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0143 0.0175 0.0156
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Trypanosoma brucei polo-like protein kinase 0.0099 0.0107 0.4571
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.004 0.002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0008 0.0335
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0143 0.0175 0.0156
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0001 0.0031
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0181 0.0233 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0037 0.001 0.0408
Toxoplasma gondii thioredoxin reductase 0.0056 0.004 0.1722
Loa Loa (eye worm) hypothetical protein 0.0036 0.0008 0.019
Plasmodium falciparum glutathione reductase 0.0056 0.004 0.1722
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0204 0.0271 0.5679
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0128 0.0152 0.0132
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0029 0.072
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0886 0.1331 0.1322
Brugia malayi dihydrofolate reductase family protein 0.0052 0.0034 0.0824
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0066 0.0047
Echinococcus granulosus flap endonuclease 1 0.0031 0.0001 0.0031
Brugia malayi follicle stimulating hormone receptor 0.0294 0.041 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.0107 0.4593
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0094 0.0099 0.9229
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0001 0.0031
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0052 0.0034 0.0014
Loa Loa (eye worm) dihydrofolate reductase 0.0052 0.0034 0.0824
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0001 0.0018
Onchocerca volvulus 0.0036 0.0008 0.0199
Schistosoma mansoni kinase 0.0051 0.0031 0.1329
Mycobacterium tuberculosis Hypothetical protein 0.0061 0.0047 0.0028
Plasmodium falciparum cysteine--tRNA ligase 0.0094 0.0099 0.4236
Onchocerca volvulus 0.0283 0.0392 1
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0094 0.0099 0.4236
Plasmodium vivax glutathione reductase, putative 0.0056 0.004 0.1722
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0066 0.2848
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0029 0.072
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0066 0.2851
Brugia malayi glutathione reductase 0.0056 0.004 0.0981
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0047 0.1189
Echinococcus granulosus leucyl tRNA synthetase 0.0094 0.0099 0.4241
Loa Loa (eye worm) hypothetical protein 0.0052 0.0034 0.083
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0129 0.0153 0.0133
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0001 0.0031
Echinococcus multilocularis thymidylate synthase 0.0128 0.0152 0.6519
Giardia lamblia Cysteinyl-tRNA synthetase 0.0094 0.0099 0.9229
Loa Loa (eye worm) norepinephrine transporter 0.018 0.0233 0.569
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0037 0.001 0.0408
Echinococcus granulosus cysteinyl tRNA synthetase 0.0094 0.0099 0.4241
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0181 0.0233 1
Echinococcus multilocularis dihydrofolate reductase 0.0052 0.0034 0.1447
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0128 0.0152 0.0132
Mycobacterium tuberculosis Probable dehydrogenase 0.0129 0.0153 0.0133
Brugia malayi Dihydrofolate reductase 0.0052 0.0034 0.0824
Echinococcus granulosus dihydrofolate reductase 0.0052 0.0034 0.1447
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0204 0.0271 0.1394
Loa Loa (eye worm) hypothetical protein 0.018 0.0233 0.569
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0107 0.2715
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.0107 0.4571
Mycobacterium tuberculosis Probable oxidoreductase 0.0143 0.0175 0.0156
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0008 0.0334
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0204 0.0271 0.4548
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0066 0.0056
Chlamydia trachomatis cysteine--tRNA ligase 0.0094 0.0099 0.2075
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0181 0.0233 1
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0094 0.0099 0.2506
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0094 0.0099 0.0089
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.0107 0.2613
Schistosoma mansoni dihydrofolate reductase 0.0052 0.0034 0.1447
Loa Loa (eye worm) solute carrier family 6 member 4 0.018 0.0233 0.569
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0094 0.0099 0.4241
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0094 0.0099 0.4241
Leishmania major trypanothione reductase 0.0056 0.004 0.1696

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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

No literature references available for this target.

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