Detailed information for compound 1404031

Basic information

Technical information
  • TDR Targets ID: 1404031
  • Name: 2-chloro-6-methyl-5-phenylpyridine-3-carbonit rile
  • MW: 228.677 | Formula: C13H9ClN2
  • H donors: 0 H acceptors: 2 LogP: 3.56 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(c2ccccc2)c(nc1Cl)C
  • InChi: 1S/C13H9ClN2/c1-9-12(10-5-3-2-4-6-10)7-11(8-15)13(14)16-9/h2-7H,1H3
  • InChiKey: IKKNXDBSPNSUOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-6-methyl-5-phenyl-pyridine-3-carbonitrile
  • 2-chloro-6-methyl-5-phenyl-3-pyridinecarbonitrile
  • 2-chloro-6-methyl-5-phenyl-nicotinonitrile
  • 4J-404S
  • Bionet2_000841
  • 2-chloro-6-methyl-5-phenylnicotinonitrile
  • MLS000325815
  • SMR000169749
  • ZINC01388572

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 cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Loa Loa (eye worm) hypothetical protein 0.0344 0.2038 0.2038
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0125 0.0493 0.0493
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0125 0.0493 0.0493
Echinococcus multilocularis cathepsin L 0.0275 0.1546 0.1546
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0275 0.1546 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0275 0.1546 0.1546
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Plasmodium vivax vivapain-2 0.0494 0.3091 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Brugia malayi Cathepsin L-like precursor 0.0494 0.3091 0.3091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0125 0.0493 0.0493
Brugia malayi Cathepsin L-like cysteine proteinase 0.0344 0.2038 0.2038
Entamoeba histolytica cysteine proteinase, putative 0.0494 0.3091 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0125 0.0493 0.0493
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1627 0.3858
Schistosoma mansoni cathepsin B (C01 family) 0.0125 0.0493 0.0493
Schistosoma mansoni cathepsin F (C01 family) 0.0494 0.3091 0.3091
Brugia malayi Papain family cysteine protease containing protein 0.0125 0.0493 0.0493
Onchocerca volvulus 0.0494 0.3091 1
Loa Loa (eye worm) hypothetical protein 0.0344 0.2038 0.2038
Trypanosoma cruzi cysteine proteinase, putative 0.0275 0.1546 0.1108
Entamoeba histolytica cysteine proteinase, putative 0.0275 0.1546 0.4054
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Echinococcus granulosus cathepsin l1 0.0344 0.2038 0.2038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0275 0.1546 0.3583
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.3547 0.3547
Brugia malayi Cytochrome P450 family protein 0.0059 0.0026 0.0026
Plasmodium falciparum cysteine proteinase falcipain 1 0.0275 0.1546 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Onchocerca volvulus 0.0344 0.2038 0.5946
Trypanosoma cruzi cysteine proteinase, putative 0.0275 0.1546 0.1108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Echinococcus granulosus cathepsin L 0.0125 0.0493 0.0493
Plasmodium vivax unspecified product 0.0149 0.0664 0.066
Entamoeba histolytica cysteine proteinase, putative 0.0494 0.3091 1
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Loa Loa (eye worm) hypothetical protein 0.0125 0.0493 0.0493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Entamoeba histolytica cysteine proteinase, putative 0.0344 0.2038 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Schistosoma mansoni cathepsin C 0.0125 0.0493 0.0493
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0125 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0149 0.0664 0.0664
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0125 0.0493 0.0493
Echinococcus granulosus cathepsin l cysteine peptidase 0.0494 0.3091 0.3091
Trypanosoma cruzi cruzipain precursor, putative 0.0149 0.0664 0.018
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0494 0.3091 0.8838
Schistosoma mansoni cathepsin F (C01 family) 0.0494 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.0125 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0125 0.0493 0.0493
Brugia malayi Cathepsin L-like precursor 0.0494 0.3091 0.3091
Schistosoma mansoni cathepsin s 0.0149 0.0664 0.0664
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0344 0.2038 0.1625
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0542 0.3433 0.3093
Onchocerca volvulus 0.0494 0.3091 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0542 0.3433 0.3433
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Brugia malayi cathepsin L-like cysteine proteinase 0.0125 0.0493 0.0493
Echinococcus granulosus cathepsin L cysteine protease 0.0275 0.1546 0.1546
Loa Loa (eye worm) hypothetical protein 0.0125 0.0493 0.0493
Trypanosoma cruzi cysteine peptidase, putative 0.0494 0.3091 0.2733
Giardia lamblia Cathepsin B precursor 0.0542 0.3433 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Loa Loa (eye worm) ctsf protein 0.0494 0.3091 0.3091
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0026 0.0026
Onchocerca volvulus 0.0494 0.3091 1
Brugia malayi cathepsin L precursor 0.0125 0.0493 0.0493
Onchocerca volvulus Cathepsin F homolog 0.0494 0.3091 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0149 0.0664 0.0664
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0125 0.0493 0.0493
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0125 0.0493 0.0493
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0125 0.0493 0.0493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0344 0.2038 0.5255
Echinococcus multilocularis cathepsin L 0.0125 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0494 0.3091 0.3091
Brugia malayi cathepsin F-like cysteine proteinase 0.0149 0.0664 0.0664
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0125 0.0493 0.0493
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.3547 0.3547
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0125 0.0493 0.0493
Onchocerca volvulus 0.0494 0.3091 1
Echinococcus multilocularis cysteine protease 0.0494 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.0149 0.0664 0.0664
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0542 0.3433 1
Echinococcus granulosus cathepsin l1 0.0494 0.3091 0.3091
Brugia malayi cathepsin Z-like cysteine proteinase 0.0125 0.0493 0.0493
Brugia malayi Papain family cysteine protease containing protein 0.0275 0.1546 0.1546
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trypanosoma brucei cysteine peptidase C (CPC) 0.0542 0.3433 1
Brugia malayi Cathepsin L-like precursor 0.0344 0.2038 0.2038
Trypanosoma cruzi cysteine peptidase, putative 0.0494 0.3091 0.2733
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Brugia malayi Cathepsin L-like precursor 0.0494 0.3091 0.3091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trypanosoma cruzi cruzipain precursor, putative 0.0494 0.3091 0.2733
Echinococcus granulosus cathepsin L cysteine proteinase 0.0494 0.3091 0.3091
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Entamoeba histolytica cysteine proteinase 2 0.0275 0.1546 0.4054
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Giardia lamblia Cathepsin B precursor 0.0542 0.3433 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Entamoeba histolytica cysteine protease, putative 0.0494 0.3091 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1382 0.1382
Trypanosoma cruzi cysteine protease, putative 0.0275 0.1546 0.1108
Echinococcus granulosus cysteine protease 0.0275 0.1546 0.1546
Onchocerca volvulus Cathepsin L homolog 0.0494 0.3091 1
Brugia malayi Papain family cysteine protease containing protein 0.0125 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0125 0.0493 0.0493
Echinococcus granulosus cathepsin L 0.0275 0.1546 0.1546
Plasmodium vivax vivapain-2 0.0494 0.3091 1
Trypanosoma cruzi cysteine peptidase, putative 0.0494 0.3091 0.2733
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0494 0.3091 0.3091
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0494 0.3091 0.3091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0494 0.3091 0.3091
Echinococcus multilocularis cysteine protease 0.0494 0.3091 0.3091
Echinococcus multilocularis cathepsin L cysteine protease 0.0494 0.3091 0.3091
Echinococcus granulosus neuropeptide s receptor 0.0558 0.3547 0.3547
Loa Loa (eye worm) cathepsin B 0.0542 0.3433 0.3433
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0494 0.3091 1
Plasmodium vivax unspecified product 0.0275 0.1546 0.4054
Plasmodium vivax vivapain-3 0.0275 0.1546 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0494 0.3091 0.3091
Toxoplasma gondii cathepsin CPL 0.0494 0.3091 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Entamoeba histolytica cysteine proteinase 1, putative 0.0275 0.1546 0.4054
Brugia malayi cathepsin L-like precursor 0.0344 0.2038 0.2038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Echinococcus multilocularis cathepsin L cysteine protease 0.0494 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.0125 0.0493 0.0493
Schistosoma mansoni cathepsin S (C01 family) 0.0125 0.0493 0.0493
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0494 0.3091 0.8838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0125 0.0493 0.0493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0275 0.1546 0.3583
Brugia malayi Cathepsin L-like precursor 0.0344 0.2038 0.2038
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0275 0.1546 0.4054
Loa Loa (eye worm) hypothetical protein 0.0344 0.2038 0.2038
Brugia malayi Cathepsin L-like precursor 0.0494 0.3091 0.3091
Onchocerca volvulus 0.0286 0.1627 0.4366
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0149 0.0664 0.0664
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0125 0.0493 0.0493
Plasmodium falciparum cysteine proteinase falcipain 3 0.0494 0.3091 1
Loa Loa (eye worm) cysteine protease 0.0494 0.3091 0.3091
Brugia malayi Papain family cysteine protease containing protein 0.0275 0.1546 0.1546
Onchocerca volvulus 0.0494 0.3091 1
Plasmodium vivax vivapain-1 0.0275 0.1546 0.4054
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0125 0.0493 0.0493
Brugia malayi Papain family cysteine protease containing protein 0.0125 0.0493 0.0493
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0344 0.2038 0.5255
Trypanosoma cruzi cysteine peptidase, putative 0.0275 0.1546 0.1108
Brugia malayi Cathepsin L-like precursor 0.0149 0.0664 0.0664
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0494 0.3091 0.8189
Brugia malayi Cathepsin L-like precursor 0.0494 0.3091 0.3091
Loa Loa (eye worm) fibroinase 0.0494 0.3091 0.3091
Giardia lamblia Cathepsin B precursor 0.0542 0.3433 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.3547 0.3547
Entamoeba histolytica cysteine protease, putative 0.0275 0.1546 0.4054
Onchocerca volvulus 0.0494 0.3091 1
Brugia malayi Papain family cysteine protease containing protein 0.0494 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.0149 0.0664 0.0664
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0275 0.1546 0.1108
Trypanosoma cruzi cysteine peptidase, putative 0.0494 0.3091 0.2733
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Schistosoma mansoni cathepsin F (C01 family) 0.0344 0.2038 0.2038
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0275 0.1546 0.1546
Toxoplasma gondii cathepsin B 0.0542 0.3433 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0125 0.0493 0.0493
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1382 0.1382
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0494 0.3091 1
Brugia malayi fibroinase precursor 0.0125 0.0493 0.0493
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0542 0.3433 1
Brugia malayi Cathepsin L-like precursor 0.0494 0.3091 0.3091
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.0664 0.018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0494 0.3091 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3091 0.8838
Onchocerca volvulus Cathepsin L homolog 0.0494 0.3091 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0275 0.1546 0.1546
Entamoeba histolytica cysteine proteinase, putative 0.0275 0.1546 0.4054
Onchocerca volvulus 0.0494 0.3091 1

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-cyp3a4 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) = 1 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) = 5.623413252 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) = 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
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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 (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.