Detailed information for compound 576763

Basic information

Technical information
  • TDR Targets ID: 576763
  • Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azep ine
  • MW: 152.237 | Formula: C9H16N2
  • H donors: 0 H acceptors: 0 LogP: 0.54 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN2C(=NCCC2)CC1
  • InChi: 1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
  • InChiKey: GQHTUMJGOHRCHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,8-diazabicyclo(5.4.0)undec-7-ene
  • 31171-04-7
  • 51301-56-5
  • 69722-76-5
  • 78995-63-8
  • 83329-50-4
  • 6674-22-2
  • 33482_FLUKA
  • ST5308548
  • 1,5-Diazabicyclo(5.4.0)undec-5-ene
  • SMR000036948
  • MLS000039793
  • DBU
  • 139009_ALDRICH
  • 2,3,4,6,7,8,9,10-Octahydropyrimidol[1,2-a]azepine
  • 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-alpha)azepine
  • EINECS 229-713-7
  • NSC 111184
  • Pyrimido(1,2-a)azepine, 2,3,4,6,7,8,9,10-octahydro-
  • 1,5-Diazabicyclo[5.4.0]undec-5-ene
  • 1,8-Diazabicyclo[5.4.0]undec-7-ene
  • 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-.alpha.]azepine
  • 33481_FLUKA
  • NSC111184
  • Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Oryctolagus cuniculus Indolethylamine N-methyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi NNMT/PNMT/TEMT family protein Get druggable targets OG5_132055 All targets in OG5_132055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132055 All targets in OG5_132055
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132055 All targets in OG5_132055
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein Get druggable targets OG5_132055 All targets in OG5_132055
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative Werner syndrome ATP-dependent helicase homolog 1 Indolethylamine N-methyltransferase   263 aa 233 aa 24.5 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Trichomonas vaginalis conserved hypothetical protein Indolethylamine N-methyltransferase   263 aa 214 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0034 0.0226 0.0539
Plasmodium vivax importin-beta 2, putative 0.003 0.018 0.137
Brugia malayi PAS domain containing protein 0.0051 0.0465 0.0465
Schistosoma mansoni hypothetical protein 0.0077 0.0819 0.1949
Trypanosoma brucei trypanothione reductase 0.005 0.0446 0.34
Schistosoma mansoni hypothetical protein 0.0034 0.0226 0.0539
Loa Loa (eye worm) hypothetical protein 0.0113 0.1311 0.1228
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.1311 0.1359
Mycobacterium tuberculosis Conserved protein 0.0113 0.1311 0.1359
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.1319 0.1367
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.1311 0.3119
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0446 0.34
Brugia malayi Cytochrome P450 family protein 0.0035 0.0243 0.0243
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0819 0.1949
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0226 0.0539
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1311 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0226 0.0226
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0101 0.077
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.1319 0.1367
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 0.4202 0.4147
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0446 0.106
Plasmodium falciparum glutathione reductase 0.005 0.0446 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.1493 0.1547
Brugia malayi beta-lactamase family protein 0.0113 0.1311 0.1311
Schistosoma mansoni intermediate filament proteins 0.0028 0.0153 0.0363
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0446 0.0355
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Brugia malayi hypoxia-induced factor 1 0.0158 0.1935 0.1935
Onchocerca volvulus 0.0038 0.0283 0.1125
Loa Loa (eye worm) hypothetical protein 0.0045 0.0377 0.0285
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.1319 0.1367
Onchocerca volvulus 0.0113 0.1311 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0145 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1311 1
Echinococcus multilocularis GPCR, family 2 0.0034 0.0226 0.0539
Schistosoma mansoni hypothetical protein 0.0034 0.0226 0.0539
Leishmania major trypanothione reductase 0.005 0.0446 0.34
Leishmania major cytochrome p450-like protein 0.0024 0.0094 0.0719
Loa Loa (eye worm) hypothetical protein 0.0107 0.1226 0.1143
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0377 0.2874
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0283 0.0673
Brugia malayi beta-lactamase family protein 0.0113 0.1311 0.1311
Loa Loa (eye worm) beta-lactamase 0.0113 0.1311 0.1228
Loa Loa (eye worm) hypothetical protein 0.003 0.018 0.0086
Echinococcus multilocularis musashi 0.0028 0.0153 0.0363
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.0465 0.1107
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.1319 0.1367
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0226 0.0539
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0101 0.077
Echinococcus multilocularis lamin dm0 0.0028 0.0153 0.0363
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.1226 0.1226
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0101 0.077
Brugia malayi Cytochrome P450 family protein 0.0024 0.0094 0.0094
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0226 0.0539
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0377 0.0896
Leishmania major hypothetical protein, conserved 0.0113 0.1311 1
Echinococcus granulosus geminin 0.0184 0.2291 0.5453
Schistosoma mansoni single-minded 0.0051 0.0465 0.1107
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0763 0.0763
Entamoeba histolytica hypothetical protein 0.0077 0.0819 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0153 0.0153
Brugia malayi glutathione reductase 0.005 0.0446 0.0446
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0377 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.1311 1
Brugia malayi hypothetical protein 0.0171 0.2117 0.2117
Brugia malayi Thioredoxin reductase 0.005 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0113 0.1311 0.1228
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0377 0.0896
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0446 0.0462
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.1311 0.3119
Echinococcus granulosus intermediate filament protein 0.0028 0.0153 0.0363
Echinococcus granulosus lamin dm0 0.0028 0.0153 0.0363
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0377 0.2874
Loa Loa (eye worm) hypothetical protein 0.0171 0.2117 0.2042
Brugia malayi Cytochrome P450 family protein 0.0024 0.0094 0.0094
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0819 0.1949
Loa Loa (eye worm) raf kinase 0.0045 0.0386 0.0294
Schistosoma mansoni hypothetical protein 0.0034 0.0226 0.0539
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0153 0.0059
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.1311 1
Brugia malayi RNA, U transporter 1 0.0086 0.0946 0.0946
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1311 1
Entamoeba histolytica hypothetical protein 0.0077 0.0819 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0377 0.0896
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0113 0.1311 0.1228
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0377 0.0377
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0226 0.0539
Brugia malayi Importin beta-1 subunit 0.003 0.018 0.018
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0377 0.0896
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0446 0.34
Echinococcus multilocularis geminin 0.0184 0.2291 0.5453
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0377 0.2874
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0094 0.0719
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0377 0.2874
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.1493 1
Brugia malayi intermediate filament protein 0.0028 0.0153 0.0153
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.1311 0.1311
Schistosoma mansoni hypothetical protein 0.0184 0.2291 0.5453
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0283 0.0283
Brugia malayi Raf kinase 0.0045 0.0386 0.0386
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.1319 0.1367
Entamoeba histolytica hypothetical protein 0.0077 0.0819 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.1493 0.1547
Loa Loa (eye worm) hypothetical protein 0.0073 0.0763 0.0676
Echinococcus multilocularis importin subunit beta 1 0.003 0.018 0.0427
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0101 0.077
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0386 0.0918
Schistosoma mansoni lamin 0.0028 0.0153 0.0363
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0377 0.0896
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Loa Loa (eye worm) glutathione reductase 0.005 0.0446 0.0355
Mycobacterium ulcerans lipase LipD 0.0113 0.1311 1
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0094 0.0719
Schistosoma mansoni importin beta-1 0.003 0.018 0.0427
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.018 0.137
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.1311 0.1359
Echinococcus granulosus lamin 0.0028 0.0153 0.0363
Loa Loa (eye worm) hypoxia-induced factor 1 0.0158 0.1935 0.1858
Schistosoma mansoni hypothetical protein 0.0184 0.2291 0.5453
Toxoplasma gondii thioredoxin reductase 0.005 0.0446 0.34
Echinococcus granulosus single minded 2 0.0038 0.0283 0.0673
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0377 0.0896
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0226 0.0134
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0377 0.2874
Echinococcus multilocularis lamin 0.0028 0.0153 0.0363
Onchocerca volvulus 0.0113 0.1311 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.072 0.9646 1
Loa Loa (eye worm) hypothetical protein 0.0746 1 1
Echinococcus granulosus snurportin 1 0.0323 0.4202 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1311 0.1228
Schistosoma mansoni hypothetical protein 0.0073 0.0763 0.1817
Trichomonas vaginalis esterase, putative 0.0113 0.1311 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.1319 0.0463
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0746 1 1
Brugia malayi hypothetical protein 0.0077 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0028 0.0153 0.0059
Plasmodium vivax hypothetical protein, conserved 0.0113 0.1311 1
Mycobacterium tuberculosis Conserved protein 0.0113 0.1311 0.1359
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.018 0.137
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.1311 0.1359
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0446 0.106
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0094 0.0719
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0819 0.1949
Schistosoma mansoni hypothetical protein 0.0323 0.4202 1
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1311 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1311 0.1228
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0094 0.0719
Treponema pallidum NADH oxidase 0.0017 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.1226 0.1226
Plasmodium falciparum thioredoxin reductase 0.005 0.0446 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1311 0.3119
Entamoeba histolytica hypothetical protein 0.0077 0.0819 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0153 0.0059
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0377 0.2874
Toxoplasma gondii ABC1 family protein 0.0113 0.1311 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0045 0.0386 0.0918
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1311 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0377 0.0896
Plasmodium vivax glutathione reductase, putative 0.005 0.0446 0.34
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0377 0.2874
Plasmodium falciparum importin beta, putative 0.003 0.018 0.4029
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0377 0.0896
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.1226 0.1143
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.1311 0.1359
Mycobacterium tuberculosis Conserved protein 0.0113 0.1311 0.1359
Mycobacterium tuberculosis Probable reductase 0.0113 0.1319 0.1367
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.1311 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.1311 0.1359
Echinococcus granulosus raf serine:threonine protein kinase 0.0045 0.0386 0.0918
Loa Loa (eye worm) cytochrome P450 family protein 0.0035 0.0243 0.015
Leishmania major importin beta-1 subunit, putative 0.0025 0.0101 0.077
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.018 0.137
Echinococcus multilocularis snurportin 1 0.0323 0.4202 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0377 0.3839
Mycobacterium ulcerans putative regulatory protein 0.0038 0.0283 0.2158
Mycobacterium ulcerans hypothetical protein 0.0113 0.1311 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.1311 0.1228
Loa Loa (eye worm) hypothetical protein 0.0034 0.0226 0.0134
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1311 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.1311 0.1359
Loa Loa (eye worm) hypothetical protein 0.0113 0.1311 0.1228
Loa Loa (eye worm) hypothetical protein 0.0746 1 1
Echinococcus granulosus importin subunit beta 1 0.003 0.018 0.0427
Onchocerca volvulus 0.0113 0.1311 1
Echinococcus granulosus GPCR family 2 0.0034 0.0226 0.0539
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.1493 0.1547
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1311 0.3119
Schistosoma mansoni lamin 0.0028 0.0153 0.0363
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1311 1
Mycobacterium ulcerans beta-lactamase 0.0113 0.1311 1
Brugia malayi beta-lactamase 0.0113 0.1311 0.1311
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.1311 0.1359

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 uM Inhibition of New Zealand white rabbit lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C]adenosylmethionine ChEMBL. 423205
IC50 (binding) = 25.7 uM Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C]adenosylmethionine ChEMBL. 423205
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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

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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