Detailed information for compound 1408732

Basic information

Technical information
  • TDR Targets ID: 1408732
  • Name: (1-phenylsulfonylpiperidin-2-yl)-piperidin-1- ylmethanone
  • MW: 336.449 | Formula: C17H24N2O3S
  • H donors: 0 H acceptors: 3 LogP: 2.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1
  • InChi: 1S/C17H24N2O3S/c20-17(18-12-6-2-7-13-18)16-11-5-8-14-19(16)23(21,22)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2
  • InChiKey: FSIIZGBNOHUXQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1-phenylsulfonyl-2-piperidyl)-(1-piperidyl)methanone
  • (1-phenylsulfonyl-2-piperidinyl)-(1-piperidyl)methanone
  • (1-phenylsulfonyl-2-piperidyl)-piperidino-methanone
  • (1-phenylsulfonylpiperidin-2-yl)-piperidin-1-yl-methanone
  • Oprea1_874782
  • T0503-5493
  • Enamine_000964
  • MLS000565388
  • SMR000152583

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8691 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0494 0.0791
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.006 0.1001 0.0705
Loa Loa (eye worm) hypothetical protein 0.0092 0.1992 0.1825
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0065 0.1158 0.5
Echinococcus granulosus cytochrome P450 2K1 0.006 0.1001 0.1604
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.1158 0.1398
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0104 0.233 0.3873
Schistosoma mansoni cytochrome P450 0.006 0.1001 0.1001
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.006 0.1001 0.6096
Brugia malayi cytochrome P450 0.006 0.1001 0.1062
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0092 0.1992 0.3192
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.006 0.1001 0.0705
Leishmania major cytochrome p450-like protein 0.006 0.1001 0.1066
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0065 0.1158 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.006 0.1001 0.0705
Trypanosoma cruzi cytochrome P450, putative 0.0071 0.1324 0.1748
Leishmania major sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0065 0.1158 0.1856
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0496 0.0795
Loa Loa (eye worm) MBCTL1 0.0066 0.1171 0.0823
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0065 0.1158 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0106 0.2408 0.2332
Trypanosoma cruzi cytochrome p450-like protein, putative 0.006 0.1001 0.1066
Brugia malayi Cytochrome P450 family protein 0.006 0.1001 0.1062
Schistosoma mansoni immunophilin 0.0056 0.0884 0.0884
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8691 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.006 0.1001 0.1066
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0071 0.1324 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0232 0.6239 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0884 0.0473
Schistosoma mansoni immunophilin 0.0065 0.1158 0.1158
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0928 0.1487
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0081 0.1648 0.1406
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.006 0.1001 0.6096
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.006 0.1001 0.0705
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.006 0.1001 0.6096
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0092 0.1992 0.3192
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0928 0.0928
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.1158 0.1398
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.006 0.1001 0.0705
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0065 0.1158 0.7995
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0097 0.2122 0.2366
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8691 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0671 0.0213
Trypanosoma brucei cytochrome P450, putative 0.0071 0.1324 0.1748
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.0884 0.1417
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0928 0.0928
Loa Loa (eye worm) cytochrome P450 0.006 0.1001 0.0615
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.006 0.1001 0.0705
Loa Loa (eye worm) hypothetical protein 0.0058 0.0928 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Trichomonas vaginalis immunophilin, putative 0.0065 0.1158 0.0807
Brugia malayi mbt repeat family protein 0.0058 0.0928 0.0977
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.006 0.1001 0.6096
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.006 0.1001 0.0705
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0065 0.1158 0.1856
Brugia malayi Cytochrome P450 family protein 0.0106 0.2408 0.2697
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.1158 0.1398
Loa Loa (eye worm) hypothetical protein 0.0066 0.1171 0.0823
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.137 0.2196
Mycobacterium leprae Conserved hypothetical protein 0.006 0.1001 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0092 0.1992 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0065 0.1158 0.5
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0065 0.1158 0.1158
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0496 0.0795
Loa Loa (eye worm) FKBP5 protein 0.0065 0.1158 0.0807
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1171 0.126
Loa Loa (eye worm) cytochrome P450 family protein 0.0071 0.1324 0.101
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0092 0.1992 0.1992
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0065 0.1158 0.0807
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0092 0.1992 0.3192
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.006 0.1001 0.6096
Trypanosoma brucei Sterol methyltransferase, putative 0.0199 0.523 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0065 0.1158 0.1244
Trichomonas vaginalis fk506-binding protein, putative 0.0065 0.1158 0.0807
Schistosoma mansoni bromodomain containing protein 0.0076 0.1502 0.1502
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.006 0.1001 0.6096
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.006 0.1001 0.0705
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.006 0.1001 0.1066
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5753 0.6415
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0056 0.0884 0.1417
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0494 0.0791
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0081 0.1648 0.1814
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.006 0.1001 0.0705
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1171 0.1877
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.006 0.1001 0.0705
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1171 0.1877
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8691 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.006 0.1001 0.6096
Loa Loa (eye worm) hypothetical protein 0.0085 0.1776 0.1562
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1171 0.1877
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.006 0.1001 0.0705
Loa Loa (eye worm) cytochrome P450 family protein 0.0071 0.1324 0.101
Brugia malayi beta-lactamase family protein 0.0043 0.0496 0.0475
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0496 0.0496
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0232 0.6239 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.006 0.1001 0.6096
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1171 0.1877
Brugia malayi Bromodomain containing protein 0.0046 0.0581 0.0574
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.006 0.1001 0.6096
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0928 0.1487
Schistosoma mansoni immunophilin 0.0065 0.1158 0.1158
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.8691 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5753 0.6415
Loa Loa (eye worm) hypothetical protein 0.0097 0.2122 0.1984
Brugia malayi beta-lactamase family protein 0.0043 0.0496 0.0475
Leishmania major cytochrome p450-like protein 0.006 0.1001 0.1066
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0065 0.1158 0.1856
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0928 0.1487
Loa Loa (eye worm) hypothetical protein 0.0052 0.0741 0.0299
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.006 0.1001 0.6096
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0081 0.1648 0.2642
Toxoplasma gondii cytochrome p450 superfamily protein 0.006 0.1001 0.3372
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.1158 0.1398
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0928 0.0526
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0928 0.0928
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.006 0.1001 0.6096
Echinococcus multilocularis fk506 binding protein 0.0065 0.1158 0.1856
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.006 0.1001 0.0705
Leishmania major peptidylprolyl isomerase-like protein 0.0065 0.1158 0.1398
Leishmania major lanosterol 14-alpha-demethylase, putative 0.006 0.1001 0.1066
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.765 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0496 0.0496
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.006 0.1001 0.1066
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.006 0.1001 0.6096
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.006 0.1001 0.0705
Loa Loa (eye worm) hypothetical protein 0.0046 0.0584 0.0106
Brugia malayi mbt repeat family protein 0.0058 0.0928 0.0977
Brugia malayi beta-lactamase 0.0043 0.0496 0.0475
Leishmania major sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0928 0.1487
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.1158 0.1398
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.006 0.1001 0.0705
Brugia malayi Cytochrome P450 family protein 0.0071 0.1324 0.1437
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8691 1
Echinococcus multilocularis 0.006 0.1001 0.1604
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0065 0.1158 0.1398
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0065 0.1158 0.1244
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.8691 1
Brugia malayi Bromodomain containing protein 0.0091 0.1934 0.2147
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.006 0.1001 0.6096
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8691 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.137 0.2196
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0928 0.0876
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.006 0.1001 0.6096
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.006 0.1001 0.6096
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.006 0.1001 0.0705
Trypanosoma cruzi cytochrome P450, putative 0.0071 0.1324 0.1748
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.006 0.1001 0.0705
Schistosoma mansoni hypothetical protein 0.006 0.1001 0.1001
Onchocerca volvulus 0.0058 0.0928 0.0876
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.006 0.1001 0.6096
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1171 0.1171
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.006 0.1001 0.6096
Brugia malayi Cytochrome P450 family protein 0.0071 0.1324 0.1437
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.006 0.1001 0.0705
Mycobacterium leprae putative cytochrome p450 0.006 0.1001 1
Loa Loa (eye worm) CYP4Cod1 0.0071 0.1324 0.101
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.006 0.1001 0.0705
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.006 0.1001 0.6096
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.006 0.1001 0.0705
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5416 0.6004
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0065 0.1158 0.5
Leishmania major cytochrome p450-like protein 0.0071 0.1324 0.1748
Leishmania major fk506-binding protein 1-like protein 0.0065 0.1158 0.1398
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0092 0.1992 0.3192
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0496 0.0475
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.006 0.1001 0.6096
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.006 0.1001 0.6096
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0092 0.1992 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0199 0.523 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.006 0.1001 0.0705
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.5416 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 0.1158 0.0807
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0065 0.1158 0.0807
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0081 0.1648 0.2642

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 0.1413 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 0.4147 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 3.9811 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) 6.5733 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) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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