Detailed information for compound 1228341

Basic information

Technical information
  • TDR Targets ID: 1228341
  • Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-o xadiazol-2-yl]pyridine
  • MW: 303.767 | Formula: C14H10ClN3OS
  • H donors: 0 H acceptors: 3 LogP: 3.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CSc1nnc(o1)c1cccnc1
  • InChi: 1S/C14H10ClN3OS/c15-12-5-3-10(4-6-12)9-20-14-18-17-13(19-14)11-2-1-7-16-8-11/h1-8H,9H2
  • InChiKey: LCBAEKUWBPNRFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]pyridine
  • 3-[5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]pyridine
  • 3-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
  • ASN 01516670
  • MLS000525437
  • SMR000122311
  • ZINC00411432

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative 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
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Leishmania infantum cytochrome p450-like protein 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
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense cytochrome P450, putative 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
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
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
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.075 0.0728
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.516 0.6154
Onchocerca volvulus Serine\/threonine kinase homolog 0.0112 0.3025 0.3699
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1966 0.1966
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0637 0.0637
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0396 0.1726
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.139 0.1704
Echinococcus granulosus tar DNA binding protein 0.0076 0.1966 0.1947
Giardia lamblia Kinase, PLK 0.0112 0.3025 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0396 0.0273
Brugia malayi Cytochrome P450 family protein 0.0021 0.0322 0.0372
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0463 0.0292
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0637 0.1167
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.075 1
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Brugia malayi Cytochrome P450 family protein 0.0032 0.0637 0.0765
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0396 0.0273
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0023 0.0023
Trypanosoma cruzi polo-like protein kinase, putative 0.0112 0.3025 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0463 0.0548
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.516 1
Brugia malayi Importin beta-1 subunit 0.0032 0.0651 0.0782
Leishmania major importin beta-1 subunit, putative 0.0026 0.0468 0.0541
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0468 0.0093
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0026 0.0463 0.0292
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0463 0.0441
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0463 0.0292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0023 0.0023
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0021 0.0322 0.0299
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0468 0.0541
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0463 0.1899
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.516 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0463 0.0292
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.1338 0.1217
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Leishmania major cytochrome p450-like protein 0.0032 0.0637 0.1167
Trypanosoma cruzi polo-like protein kinase, putative 0.0112 0.3025 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0463 0.0292
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0026 0.0463 0.0292
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1966 0.1947
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0463 0.2635
Schistosoma mansoni cytochrome P450 0.0021 0.0322 0.0299
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0463 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0463 0.3297
Loa Loa (eye worm) hypothetical protein 0.0032 0.0651 0.0651
Brugia malayi TAR-binding protein 0.0076 0.1966 0.2421
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.075 0.0728
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Schistosoma mansoni ran 0.0024 0.0396 0.0373
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1966 0.1947
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0463 0.0292
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0637 0.0652
Echinococcus multilocularis 0.0021 0.0322 0.0299
Plasmodium falciparum importin beta, putative 0.0032 0.0651 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.7111 0.7111
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.516 1
Onchocerca volvulus 0.0057 0.139 0.1685
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0396 0.0464
Echinococcus granulosus survival motor neuron protein 1 0.028 0.8047 0.8042
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0463 0.0441
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0112 0.3025 0.3009
Onchocerca volvulus 0.0036 0.075 0.0895
Schistosoma mansoni ran 0.0024 0.0396 0.0373
Brugia malayi RNA, U transporter 1 0.0092 0.2432 0.3003
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.1338 0.1217
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0023 0.0023
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0463 0.0441
Schistosoma mansoni kinase 0.0057 0.1382 0.1362
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.075 0.0728
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.3025 0.3009
Plasmodium vivax importin-beta 2, putative 0.0032 0.0651 0.7206
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0396 0.0373
Leishmania major GTP-binding protein, putative 0.0024 0.0396 0.0273
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1966 0.1947
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.0463 0.0292
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Loa Loa (eye worm) cytochrome P450 0.0021 0.0322 0.0322
Brugia malayi RNA binding protein 0.0076 0.1966 0.2421
Brugia malayi hypothetical protein 0.028 0.8047 1
Brugia malayi Pre-SET motif family protein 0.0036 0.075 0.0906
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1966 0.2421
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0023 0.0023
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0112 0.3025 0.3009
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.075 0.0728
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.071 0.0689
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0468 0.0093
Brugia malayi Cytochrome P450 family protein 0.0067 0.1696 0.2085
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0651 0.7688
Echinococcus granulosus Aminotransferase class III 0.0026 0.0463 0.0441
Entamoeba histolytica serine/threonine protein kinase, putative 0.0112 0.3025 1
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0637 0.1167
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0637 0.0637
Loa Loa (eye worm) RNA binding protein 0.0076 0.1966 0.1966
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0112 0.3025 0.3025
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0396 0.0273
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0463 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0637 0.1167
Entamoeba histolytica hypothetical protein 0.0026 0.0468 0.0275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0023 0.0023
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0468 0.0093
Brugia malayi Pre-SET motif family protein 0.0249 0.7111 0.8834
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.1696 0.1696
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.075 0.0728
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0463 0.0292
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Echinococcus multilocularis survival motor neuron protein 1 0.028 0.8047 0.8042
Brugia malayi serine/threonine-protein kinase plk-2 0.0112 0.3025 0.3741
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1966 0.1966
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0463 0.0292
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1966 0.1947
Trypanosoma brucei polo-like protein kinase 0.0112 0.3025 1
Mycobacterium ulcerans hypothetical protein 0.0184 0.516 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0651 0.1217
Schistosoma mansoni hypothetical protein 0.0057 0.139 0.137
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.3025 0.3396
Schistosoma mansoni importin beta-1 0.0032 0.0651 0.0629
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0112 0.3025 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Trichomonas vaginalis set domain proteins, putative 0.0283 0.8137 1
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0322 0.0299
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0463 0.0292
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0463 0.0441
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0023 0.0023
Brugia malayi cytochrome P450 0.0021 0.0322 0.0372
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0651 0.0629
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1966 0.1947
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1966 0.1947
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0637 0.0637
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0651 0.1217
Echinococcus granulosus importin subunit beta 1 0.0032 0.0651 0.0629
Schistosoma mansoni hypothetical protein 0.0346 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.075 0.0728
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0023 0.0023
Schistosoma mansoni survival motor neuron protein 0.0057 0.139 0.137
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0463 0.0292
Echinococcus multilocularis snurportin 1 0.0346 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.075 1
Onchocerca volvulus 0.0283 0.8137 1
Loa Loa (eye worm) hypothetical protein 0.028 0.8047 0.8047
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0463 0.0441
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0026 0.0463 0.0292
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0396 0.0373
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.516 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.075 0.0728
Brugia malayi Cytochrome P450 family protein 0.0032 0.0637 0.0765

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 3.16227766 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) = 3.548133892 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
AC50 (functional) = 3.548133892 uM 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) 4.13 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AC50 (functional) = 10 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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

No literature references available for this target.

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