Detailed information for compound 433650

Basic information

Technical information
  • TDR Targets ID: 433650
  • Name: (5R)-3-[4-[6-[2-(2,5-dimethylimidazol-1-yl)ac etyl]pyridin-3-yl]-3-fluorophenyl]-5-(triazol -1-ylmethyl)-1,3-oxazolidin-2-one
  • MW: 475.475 | Formula: C24H22FN7O3
  • H donors: 0 H acceptors: 6 LogP: 2.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cn1)c1ccc(cc1F)N1C[C@@H](OC1=O)Cn1ccnn1)Cn1c(C)cnc1C
  • InChi: 1S/C24H22FN7O3/c1-15-10-26-16(2)31(15)14-23(33)22-6-3-17(11-27-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-30-8-7-28-29-30/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1
  • InChiKey: SLBLVSSPDCNCSA-IBGZPJMESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-3-[4-[6-[2-(2,5-dimethylimidazol-1-yl)acetyl]-3-pyridyl]-3-fluoro-phenyl]-5-(triazol-1-ylmethyl)oxazolidin-2-one
  • (5R)-3-[4-[6-[2-(2,5-dimethyl-1-imidazolyl)-1-oxoethyl]-3-pyridyl]-3-fluorophenyl]-5-(1-triazolylmethyl)-2-oxazolidinone
  • (5R)-3-[4-[6-[2-(2,5-dimethylimidazol-1-yl)ethanoyl]pyridin-3-yl]-3-fluoro-phenyl]-5-(1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens monoamine oxidase A Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
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
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
Loa Loa (eye worm) cytochrome P450 family protein 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
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
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
Leishmania mexicana cytochrome p450-like protein 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
Trypanosoma cruzi cytochrome P450, putative 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
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Leishmania major 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
Candida albicans cytochrome P450 556 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase A 527 aa 474 aa 22.4 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0063 0.2719
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0235 0.1334 0.3102
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0235 0.1334 0.3102
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.0031 0.0007
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0063 0.0076
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0126 0.0096
Brugia malayi glutaminase DH11.1 0.0266 0.152 0.3535
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0202 0.0973
Loa Loa (eye worm) hypothetical protein 0.0036 0.0129 0.0299
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0146
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.0031 0.0151
Brugia malayi hypothetical protein 0.0053 0.0232 0.0538
Schistosoma mansoni amine oxidase 0.0025 0.0063 0.0218
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Schistosoma mansoni amine oxidase 0.0025 0.0063 0.0218
Echinococcus granulosus nibrin 0.002 0.0031 0.0002
Leishmania major hypothetical protein, conserved 0.0053 0.0232 0.0713
Treponema pallidum DNA ligase (lig) 0.002 0.0031 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0551 0.3248 1
Echinococcus granulosus Protein patched homolog 1 0.0086 0.0431 0.0938
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0232 0.0622
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0117 0.0454
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0063 0.0303
Schistosoma mansoni hypothetical protein 0.0083 0.0412 0.2563
Echinococcus multilocularis protein patched 0.0086 0.0431 0.0402
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.003 0.1314
Echinococcus multilocularis 0.0025 0.0063 0.0033
Schistosoma mansoni lamin 0.0053 0.0229 0.1335
Brugia malayi Bm-MIF-1, identical 0.0551 0.3248 0.7552
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0063 0.0098
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0204 0.1143 0.7468
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0063 0.0098
Loa Loa (eye worm) hypothetical protein 0.0201 0.1124 0.2614
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0025 0.0064 0.0034
Echinococcus multilocularis lamin 0.0053 0.0229 0.02
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0204 0.0174
Schistosoma mansoni hypothetical protein 0.0024 0.0054 0.016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0204 0.1165
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0031 0.0003
Echinococcus granulosus tar DNA binding protein 0.0066 0.0311 0.0657
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0232 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0471
Loa Loa (eye worm) glutaminase 0.0266 0.152 0.3535
Schistosoma mansoni lozenge 0.0057 0.0257 0.1518
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0311 0.0723
Loa Loa (eye worm) hypothetical protein 0.0105 0.0548 0.1275
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0063 0.2719
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0136
Schistosoma mansoni hypothetical protein 0.0171 0.0946 0.6143
Echinococcus multilocularis Niemann Pick C1 protein 0.0287 0.1645 0.162
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0063 0.0303
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0063 0.0098
Schistosoma mansoni hypothetical protein 0.0148 0.0806 0.5204
Schistosoma mansoni hypothetical protein 0.0083 0.0412 0.2563
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0229 0.0533
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0204 0.0474
Schistosoma mansoni topbp1 0.002 0.0031 0.0007
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0126 0.0642
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0031 0.0003
Brugia malayi hypothetical protein 0.0036 0.0126 0.0293
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0073
Mycobacterium ulcerans DNA polymerase IV 0.002 0.003 0.0146
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0031 0.1359
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0202 0.0973
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0063 0.0098
Loa Loa (eye worm) hypothetical protein 0.0086 0.0431 0.1002
Loa Loa (eye worm) hypothetical protein 0.002 0.003 0.0071
Brugia malayi SWIRM domain containing protein 0.0025 0.0063 0.0146
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0129 1
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0297
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.003 0.0071
Brugia malayi Niemann-Pick C1 protein precursor 0.0201 0.1124 0.2614
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0551 0.3248 0.7552
Leishmania major DNA polymerase eta, putative 0.002 0.003 0.0094
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0202 0.0535
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0627 0.1457
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0031 0.0003
Brugia malayi hypothetical protein 0.0725 0.4302 1
Toxoplasma gondii ATPase, AAA family protein 0.002 0.0031 0.0000010753
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0073
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0031 0.0003
Schistosoma mansoni DNA ligase IV 0.002 0.0031 0.0007
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0204 0.0474
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0202 1
Onchocerca volvulus 0.0148 0.0806 0.2931
Echinococcus granulosus Niemann Pick C1 protein 0.0287 0.1645 0.3781
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0202 0.0471
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0202 0.0906
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0126 0.0224
Leishmania major macrophage migration inhibitory factor-like protein 0.0551 0.3248 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0117 0.0454
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0129 0.0618
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0311 0.1883
Echinococcus granulosus geminin 0.0171 0.0946 0.2143
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0202 0.0535
Leishmania major DNA polymerase kappa, putative 0.002 0.003 0.0094
Echinococcus multilocularis protein dispatched 1 0.0098 0.0505 0.0476
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0311 0.0723
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0063 0.0171
Brugia malayi hypothetical protein 0.002 0.0031 0.0073
Loa Loa (eye worm) runx1 0.0057 0.0257 0.0597
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0333 0.1929 1
Leishmania major UDP-galactopyranose mutase 0.0025 0.0063 0.0194
Brugia malayi TAR-binding protein 0.0066 0.0311 0.0723
Loa Loa (eye worm) hypothetical protein 0.0025 0.0064 0.0149
Mycobacterium ulcerans hypothetical protein 0.0048 0.0202 0.0973
Echinococcus multilocularis nibrin 0.002 0.0031 0.0001
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0232 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0031 0.0003
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0063 0.0076
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0073
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0063 0.0033
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0063 0.0171
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.2082 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0202 0.0623
Brugia malayi DKFZp564C0469 protein 0.002 0.0031 0.0073
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.003 0.1314
Schistosoma mansoni topbp1 0.002 0.0031 0.0007
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0063 0.0098
Loa Loa (eye worm) hypothetical protein 0.0725 0.4302 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0204 0.0406
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0202 0.0535
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0202 0.0906
Loa Loa (eye worm) hypothetical protein 0.0456 0.2673 0.6214
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0146
Echinococcus granulosus Niemann Pick C1 protein 0.0201 0.1124 0.2561
Brugia malayi MH2 domain containing protein 0.0118 0.0627 0.1457
Schistosoma mansoni patched 1 0.0086 0.0431 0.2689
Loa Loa (eye worm) hypothetical protein 0.0036 0.0129 0.0299
Trichomonas vaginalis glutaminase, putative 0.0266 0.152 0.463
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.003 0.0094
Echinococcus multilocularis muscleblind protein 1 0.0147 0.0799 0.0771
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.0031 0.0073
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0202 0.0973
Mycobacterium ulcerans DNA polymerase IV 0.002 0.003 0.0146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0204 0.1165
Brugia malayi Muscleblind-like protein 0.0147 0.0799 0.1857
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0201 0.1124 0.3399
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0129 0.0302
Schistosoma mansoni survival motor neuron protein 0.0148 0.0806 0.5204
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0117 0.0454
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0202 0.0471
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0551 0.3248 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0232 0.0622
Echinococcus granulosus muscleblind protein 0.0147 0.0799 0.1799
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0202 0.0623
Mycobacterium ulcerans dehydrogenase 0.0025 0.0063 0.0303
Loa Loa (eye worm) hypothetical protein 0.0053 0.0232 0.0538
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0311 0.1883
Brugia malayi hypothetical protein 0.0456 0.2673 0.6214
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0031 0.0003
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0031 0.0001
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0054 0.0056
Giardia lamblia Macrophage migration inhibitory factor 0.0551 0.3248 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0551 0.3248 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0031 0.1359
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0081 0.0189
Echinococcus granulosus replication factor c subunit 1 0.002 0.0031 0.0002
Loa Loa (eye worm) hypothetical protein 0.0036 0.0129 0.0299
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0204 0.1165
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0204 0.0406
Onchocerca volvulus 0.0025 0.0063 0.0119
Loa Loa (eye worm) glutaminase 2 0.0266 0.152 0.3535
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.0031 0.0073
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.003 0.1314
Echinococcus multilocularis Protein lozenge 0.0057 0.0257 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Loa Loa (eye worm) hypothetical protein 0.0456 0.2673 0.6214
Mycobacterium ulcerans oxidoreductase 0.0025 0.0063 0.0303
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0136
Brugia malayi hypothetical protein 0.0025 0.0063 0.0146
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0232 0.0622
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0063 0.3245
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0073
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0202 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.003 0.1314
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0063 0.0033
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0311 0.0281
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0025 0.0064 0.0079
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0063 0.0218
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0146
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0086 0.0431 0.1002
Echinococcus granulosus lamin 0.0053 0.0229 0.0466
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.0031 0.1359
Trichomonas vaginalis conserved hypothetical protein 0.0551 0.3248 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0.0031 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0297
Echinococcus granulosus sterol regulatory element binding protein 0.0086 0.0431 0.0938
Onchocerca volvulus 0.0048 0.0202 0.0647
Brugia malayi hypothetical protein 0.002 0.0031 0.0073
Loa Loa (eye worm) hypothetical protein 0.0147 0.0799 0.1857
Brugia malayi hypothetical protein 0.0034 0.0118 0.0273
Echinococcus multilocularis survival motor neuron protein 1 0.0725 0.4302 0.4284
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.003 0.1314
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0129 0.0517
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0073
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0471
Brugia malayi topoisomerase 0.002 0.0031 0.0073
Brugia malayi CHE-14 protein 0.0086 0.0431 0.1002
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0551 0.3248 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0202 0.0973
Echinococcus multilocularis musashi 0.0053 0.0229 0.02
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.003 0.1314
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0117 0.0454
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0054 0.0024
Echinococcus multilocularis sterol regulatory element binding protein 0.0086 0.0431 0.0402
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.003 0.1314
Echinococcus multilocularis expressed conserved protein 0.0188 0.1051 0.1023
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0063 0.0146
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.003 0.0071
Loa Loa (eye worm) hypothetical protein 0.0052 0.0224 0.052
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0031 0.0003
Schistosoma mansoni hypothetical protein 0.0083 0.0412 0.2563
Schistosoma mansoni lamin 0.0053 0.0229 0.1335
Echinococcus granulosus lamin dm0 0.0053 0.0229 0.0466
Trypanosoma brucei unspecified product 0.002 0.003 0.1314
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0311 0.1883
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0073
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0202 0.0973
Onchocerca volvulus 0.0456 0.2673 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0146
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.003 0.1314
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0202 0.0973
Loa Loa (eye worm) hypothetical protein 0.0036 0.0129 0.0299
Leishmania major macrophage migration inhibitory factor-like protein 0.0551 0.3248 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0202 0.0623
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0627 0.1457
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0202 0.0973
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0232 0.0622
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0297
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0129 0.0302
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0229 0.0533
Schistosoma mansoni hypothetical protein 0.0171 0.0946 0.6143
Schistosoma mansoni glutaminase 0.0266 0.152 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0311 0.1883
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.2082 1
Schistosoma mansoni hypothetical protein 0.0036 0.0126 0.0642
Echinococcus multilocularis lamin dm0 0.0053 0.0229 0.02
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0063 0.0098
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0471
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0229 0.0533
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.0031 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0031 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0025 0.0063 0.1842
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0146
Mycobacterium ulcerans glutaminase 0.0266 0.152 0.7304
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0063 0.0218
Giardia lamblia Replication factor C, subunit 1 0.002 0.0031 0.0003
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0551 0.3248 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0311 0.0723
Echinococcus multilocularis geminin 0.0171 0.0946 0.0918
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0232 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0148 0.0806 0.1873
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0063 0.0098
Brugia malayi intermediate filament protein 0.0053 0.0229 0.0533
Loa Loa (eye worm) hypothetical protein 0.0053 0.0229 0.0533
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.003 0.1314
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0202 0.0471
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0081 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Echinococcus granulosus expressed conserved protein 0.0188 0.1051 0.2389
Schistosoma mansoni intermediate filament proteins 0.0053 0.0229 0.1335
Echinococcus multilocularis Niemann Pick C1 protein 0.0201 0.1124 0.1097
Onchocerca volvulus 0.0053 0.0229 0.0749
Loa Loa (eye worm) hypothetical protein 0.0036 0.0129 0.0299
Echinococcus granulosus intermediate filament protein 0.0053 0.0229 0.0466
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Schistosoma mansoni hypothetical protein 0.0083 0.0412 0.2563
Entamoeba histolytica hypothetical protein 0.002 0.0031 0.0003
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0.0031 0.0003
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0031 0.0003
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0063 0.0098
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0204 0.0174
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0297
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.003 0.0071
Loa Loa (eye worm) RNA binding protein 0.0066 0.0311 0.0723
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0031 0.1359
Loa Loa (eye worm) hypothetical protein 0.0147 0.0799 0.1857
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0431 0.1245
Echinococcus multilocularis muscleblind protein 0.0147 0.0799 0.0771
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0146
Brugia malayi RNA binding protein 0.0066 0.0311 0.0723
Echinococcus granulosus survival motor neuron protein 1 0.0725 0.4302 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.003 0.1314
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0311 0.1883
Onchocerca volvulus 0.0053 0.0229 0.0749
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0031 0.1359
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0025 0.0063 0.0098

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 17.4 g/hr/mL AUC in Streptococcus pneumoniae 548 infected mouse lung infection model at 40 mg/kg/day, po ChEMBL. 17722903
AUC (ADMET) = 17.4 g/hr/mL AUC in Streptococcus pneumoniae 548 infected mouse lung infection model at 40 mg/kg/day, po ChEMBL. 17722903
AUC (ADMET) = 31 g/hr/mL AUC in Streptococcus pneumoniae 548 infected mouse lung infection model at 80 mg/kg/day, po ChEMBL. 17722903
AUC (ADMET) = 31 g/hr/mL AUC in Streptococcus pneumoniae 548 infected mouse lung infection model at 80 mg/kg/day, po ChEMBL. 17722903
AUC (ADMET) = 3.3 ug/hr.ml AUC in Wistar rat at 2 mg/kg, iv ChEMBL. 17722903
CL (ADMET) = 10 ml/min.kg Clearance in Wistar rat at 2 mg/kg, iv ChEMBL. 17722903
F (ADMET) = 73 % Oral bioavailability in Wistar rat at 10 mg/kg, po ChEMBL. 17722903
IC50 (ADMET) = 10.7 uM Inhibition of human recombinant CYP3A4 ChEMBL. 17722903
IC50 (ADMET) = 10.7 uM Inhibition of human recombinant CYP3A4 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP1A2 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP2C9 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP2C19 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP2D6 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP1A2 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP2C9 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP2C19 ChEMBL. 17722903
IC50 (ADMET) > 20 uM Inhibition of human recombinant CYP2D6 ChEMBL. 17722903
Ki (binding) = 19 uM Inhibition of human liver MAOA expressed in yeast ChEMBL. 17722903
Ki (binding) = 19 uM Inhibition of human liver MAOA expressed in yeast ChEMBL. 17722903
Log10 cfu (functional) = 1.94 Antibacterial activity against Streptococcus pneumoniae 548 infected mouse lung infection model assessed as reduction in bacterial count at 40 mg/kg/day, po relative to control ChEMBL. 17722903
Log10 cfu (functional) = 2.57 Antibacterial activity against Streptococcus pneumoniae 548 infected mouse lung infection model assessed as reduction in bacterial count at 80 mg/kg/day, po relative to control ChEMBL. 17722903
MIC (functional) < 0.06 ug ml-1 Antibacterial activity against penicillin-susceptible Streptococcus pneumoniae AP671401 ChEMBL. 17722903
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against methicillin-susceptible Staphylococcus aureus AP601055 ChEMBL. 17722903
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against linezolid-resistant Streptococcus pneumoniae ChEMBL. 17722903
MIC (functional) = 4 ug ml-1 Antibacterial activity against Haemophilius influenzae ATCC51907 ChEMBL. 17722903
PPB (ADMET) = 90 % Protein binding in human plasma ChEMBL. 17722903
Solubility = 50 uM Solubility by nephelometric analysis ChEMBL. 17722903
t1/2 (ADMET) = 1.8 hr Half life in Wistar rat at 2 mg/kg, iv ChEMBL. 17722903
Vdss (ADMET) = 1.4 L/Kg Volume of distribution in Wistar rat at 2 mg/kg, iv ChEMBL. 17722903

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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