Detailed information for compound 1516483

Basic information

Technical information
  • TDR Targets ID: 1516483
  • Name: N-[1-(4-fluorophenyl)-2-oxo-2-(phenylmethylam ino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-car boxamide
  • MW: 443.47 | Formula: C26H22FN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.88 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(N(C(=O)c1ccccn1)Cc1ccco1)C(=O)NCc1ccccc1
  • InChi: 1S/C26H22FN3O3/c27-21-13-11-20(12-14-21)24(25(31)29-17-19-7-2-1-3-8-19)30(18-22-9-6-16-33-22)26(32)23-10-4-5-15-28-23/h1-16,24H,17-18H2,(H,29,31)
  • InChiKey: BWMHZOCFCQOHJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(4-fluorophenyl)-2-oxo-2-(phenylmethylamino)ethyl]-N-(2-furylmethyl)pyridine-2-carboxamide
  • N-[1-(4-fluorophenyl)-2-oxo-2-(phenylmethylamino)ethyl]-N-(2-furylmethyl)-2-pyridinecarboxamide
  • N-[2-(benzylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-N-(2-furylmethyl)picolinamide
  • ASN 06078410
  • MLS000067870
  • Pyridine-2-carboxylic acid [benzylcarbamoyl-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-amide
  • SMR000122417

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
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

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
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
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
Trypanosoma brucei 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
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
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
Leishmania infantum 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Candida albicans cytochrome P450 556 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
Leishmania major 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
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 cytochrome P450, putative 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) CYP4Cod1 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
Trypanosoma congolense 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
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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0025 0.0308 1
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0308 0.0355
Giardia lamblia Histone acetyltransferase GCN5 0.0077 0.1388 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0169 0.9925
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0013 0.0047 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1075 0.1091
Onchocerca volvulus 0.0025 0.0308 0.5
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0013 0.0047 0.0009
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0013 0.0047 0.0009
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0374 0.7589 1
Brugia malayi acetyltransferase, GNAT family protein 0.0286 0.5749 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0013 0.0047 0.0009
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0013 0.0047 0.0009
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0025 0.0308 0.0299
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0025 0.0308 0.0346
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0169 0.0159
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0169 0.0225
Echinococcus granulosus histone acetyltransferase KAT2B 0.0278 0.5582 0.5586
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0013 0.0047 0.0009
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0934 0.0946
Echinococcus multilocularis 0.0013 0.0047 0.0037
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0308 0.0469
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0025 0.0308 0.0355
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0308 1
Schistosoma mansoni cytochrome P450 0.0013 0.0047 0.0038
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0169 0.0171
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0019 0.017 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0308 0.0535
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0268 0.852
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0322 0.0313
Plasmodium falciparum histone acetyltransferase GCN5 0.0077 0.1388 0.1786
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0013 0.0047 0.0009
Schistosoma mansoni ap endonuclease 0.0019 0.0169 0.0163
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0025 0.0308 0.0355
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0084 0.1535 0.1973
Brugia malayi Cytochrome P450 family protein 0.0013 0.0047 0.0012
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0013 0.0047 0.0009
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0374 0.7589 1
Leishmania major cytochrome p450-like protein 0.0013 0.0047 0.0261
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0013 0.0047 0.0009
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0025 0.0308 0.0355
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0308 0.0355
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0934 0.0925
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.004 0.0031
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0374 0.7589 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0012 0.004 0.0031
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0025 0.0308 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1075 0.1091
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0013 0.0047 0.0009
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Loa Loa (eye worm) RNA binding protein 0.0062 0.1075 0.187
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Loa Loa (eye worm) acetyltransferase 0.0286 0.5749 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0374 0.7589 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0013 0.0047 0.0009
Loa Loa (eye worm) amidase 0.0012 0.004 0.0069
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0025 0.0308 0.0355
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Toxoplasma gondii exonuclease III APE 0.0019 0.0169 0.0161
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0322 0.0313
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0013 0.0047 0.0009
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0013 0.0047 0.0009
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0025 0.0308 0.0346
Leishmania major cytochrome p450-like protein 0.0023 0.0268 0.852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0934 0.0946
Trypanosoma brucei oxidoreductase-like protein 0.0025 0.0308 1
Brugia malayi amidase 0.0104 0.1943 0.3333
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0025 0.0308 0.0355
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0025 0.0308 1
Echinococcus granulosus transient receptor potential cation channel 0.0488 0.9985 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0013 0.0047 0.0009
Echinococcus granulosus fatty acid amide hydrolase 1 0.0012 0.004 0.0031
Schistosoma mansoni dihydropteridine reductase 0.0025 0.0308 0.0305
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0268 0.0466
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0934 0.0925
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0308 1
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0478 0.9781 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0013 0.0047 0.0009
Chlamydia trachomatis oxoacy-ACP reductase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0013 0.0047 0.0009
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0308 0.0355
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0322 0.0313
Echinococcus multilocularis ankyrin repeat protein 0.0478 0.9781 0.9781
Brugia malayi Cytochrome P450 family protein 0.0023 0.0268 0.04
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0013 0.0047 0.0009
Echinococcus granulosus fatty acid amide hydrolase 1 0.0104 0.1943 0.1938
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0104 0.1943 0.1935
Leishmania major cytochrome p450-like protein 0.0013 0.0047 0.0261
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0268 0.0466
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0013 0.0047 0.0009
Brugia malayi Cytochrome P450 family protein 0.0023 0.0268 0.04
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0012 0.004 0.003
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0013 0.0047 0.0009
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0025 0.0308 0.0355
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0019 0.017 0.0172
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0169 0.4806
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0012 0.004 0.003
Mycobacterium leprae Conserved hypothetical protein 0.0013 0.0047 0.0009
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0013 0.0047 0.0009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0934 0.1624
Loa Loa (eye worm) cytochrome P450 0.0013 0.0047 0.0081
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0013 0.0047 0.0009
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0013 0.0047 0.0261
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0013 0.0047 0.0009
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0019 0.017 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1075 0.1091
Trypanosoma brucei pteridine reductase 1 0.0025 0.0308 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0374 0.7589 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0013 0.0047 0.0009
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0013 0.0047 0.0009
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0084 0.1535 0.1973
Schistosoma mansoni amidase 0.0104 0.1943 0.1979
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0013 0.0047 0.0009
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0169 0.0171
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0374 0.7589 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1075 0.187
Schistosoma mansoni ap endonuclease 0.0019 0.0169 0.0163
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0025 0.0308 0.0346
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0934 0.0946
Loa Loa (eye worm) amidase 0.0012 0.004 0.0069
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0169 0.0171
Brugia malayi Cytochrome P450 family protein 0.0059 0.101 0.17
Brugia malayi RNA binding protein 0.0062 0.1075 0.1814
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0169 0.0171
Onchocerca volvulus 0.0025 0.0308 0.5
Schistosoma mansoni hypothetical protein 0.0013 0.0047 0.0038
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0169 0.0293
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Loa Loa (eye worm) retinol dehydrogenase 12 0.0025 0.0308 0.0535
Echinococcus granulosus ankyrin repeat protein 0.0478 0.9781 0.9796
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0169 0.016
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0013 0.0047 0.0009
Schistosoma mansoni fatty-acid amide hydrolase 0.0012 0.004 0.0031
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0019 0.017 0.0172
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0013 0.0047 0.0009
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0374 0.7589 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0013 0.0047 0.0009
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0013 0.0047 0.0009
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1075 0.1067
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0025 0.0308 0.0305
Echinococcus granulosus fatty acid amide hydrolase 1 0.0104 0.1943 0.1938
Trichomonas vaginalis bromodomain-containing protein, putative 0.0084 0.1535 0.1841
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0013 0.0047 0.0009
Mycobacterium tuberculosis Probable oxidoreductase 0.0025 0.0308 0.0355
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0169 0.4806
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.101 0.1757
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0308 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0013 0.0047 0.0009
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0268 0.0302
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0047 0.0261
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0286 0.5749 0.5745
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0025 0.0308 0.0355
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1075 0.1091
Brugia malayi TAR-binding protein 0.0062 0.1075 0.1814
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0.0047 0.0261
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0169 0.4806
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0308 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0084 0.1535 0.198
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0025 0.0308 0.0355
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Schistosoma mansoni fatty-acid amide hydrolase 0.0104 0.1943 0.1979
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0013 0.0047 0.0009
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0025 0.0308 0.0299
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0934 0.0927
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0013 0.0047 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1075 0.1091
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0308 0.0469
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0268 0.0466
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0025 0.0308 0.1141
Leishmania major pteridine reductase 1 0.0025 0.0308 1
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0025 0.0308 0.0355
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1075 0.187
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0019 0.017 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1075 0.1814
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0013 0.0047 0.0009
Echinococcus granulosus cytochrome P450 2K1 0.0013 0.0047 0.0038
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0013 0.0047 0.0009
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0.0047 0.0261
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0308 0.0355
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0374 0.7589 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0013 0.0047 0.0009
Mycobacterium leprae putative cytochrome p450 0.0013 0.0047 0.0009
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0047 0.0261
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0268 0.852
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0308 0.0355
Chlamydia trachomatis glutamine binding protein 0.0019 0.017 0.0172
Echinococcus granulosus histone acetyltransferase KAT2B 0.0084 0.1535 0.1529
Brugia malayi cytochrome P450 0.0013 0.0047 0.0012
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0013 0.0047 0.0009
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0084 0.1535 0.1841
Trichomonas vaginalis hypothetical protein 0.0374 0.7589 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0025 0.0308 0.0355
Echinococcus granulosus tar DNA binding protein 0.0062 0.1075 0.1069
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0025 0.0308 0.0535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0934 0.1566
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0104 0.1943 0.1935
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0025 0.0308 0.0355
Mycobacterium ulcerans oxidoreductase 0.0025 0.0308 0.0355
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0308 0.0355
Loa Loa (eye worm) hypothetical protein 0.0104 0.1943 0.338
Loa Loa (eye worm) oxidoreductase 0.0025 0.0308 0.0535
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0013 0.0047 0.0009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0934 0.0927
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0268 0.852
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0308 0.0355
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0013 0.0047 0.0009
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0013 0.0047 0.0009
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0169 0.0171
Entamoeba histolytica acetyltransferase, GNAT family 0.0077 0.1388 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0169 0.4806
Leishmania major oxidoreductase-like protein 0.0025 0.0308 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0286 0.5749 0.5874

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-cyp2d6 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-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.238721139 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) = 4.466835922 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) = 15.84893192 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) 0.8275 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 for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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