Detailed information for compound 257301

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 649.223 | Formula: C35H45ClN6O4
  • H donors: 4 H acceptors: 6 LogP: 2.34 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc1cccnc1)C[C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2Cl)Cc1cccnc1
  • InChi: 1S/C35H45ClN6O4/c1-35(2,3)40-34(46)30-22-41(20-24-8-6-12-38-19-24)13-14-42(30)21-26(43)16-25(15-23-7-5-11-37-18-23)33(45)39-32-27-9-4-10-29(36)28(27)17-31(32)44/h4-12,18-19,25-26,30-32,43-44H,13-17,20-22H2,1-3H3,(H,39,45)(H,40,46)/t25-,26+,30+,31-,32+/m1/s1
  • InChiKey: RKIFFDNMEAOXHM-DBJAASCVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi DOMON domain containing protein 0.0165 0.0956 0.182
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0026 0.0026
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0072 0.0137
Brugia malayi Cytochrome P450 family protein 0.0022 0.0072 0.0137
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0173 0.0741
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0005 0.0009
Plasmodium vivax hypothetical protein, conserved 0.001 0.0001 0.0025
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0173 0.0569
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0005 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0026 0.0049
Onchocerca volvulus 0.0165 0.0956 0.3279
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0005 0.0005
Schistosoma mansoni lamin 0.0026 0.0102 0.0102
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0202 0.0385
Trichomonas vaginalis set domain proteins, putative 0.0482 0.2906 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0005 0.0009
Onchocerca volvulus 0.0026 0.0102 0.0335
Brugia malayi follicle stimulating hormone receptor 0.0227 0.1337 0.2545
Mycobacterium ulcerans hypothetical protein 0.0038 0.0173 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0168 0.0168
Schistosoma mansoni netrin receptor unc5 0.0014 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0038 0.0173 0.0329
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0041 0.0041
Onchocerca volvulus 0.0038 0.0173 0.0579
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0005 0.0009
Leishmania major hypothetical protein, conserved 0.0038 0.0173 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0005 0.0009
Echinococcus granulosus bloom syndrome protein 0.0021 0.0068 0.0129
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0128 0.0128
Loa Loa (eye worm) cytochrome P450 0.0022 0.0072 0.0137
Plasmodium falciparum phd finger protein, putative 0.0031 0.0128 1
Toxoplasma gondii PHD-finger domain-containing protein 0.001 0.0001 0.0002
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.001 0.0001 0.0045
Brugia malayi ecdysteroid receptor 0.0011 0.0005 0.0009
Schistosoma mansoni hypothetical protein 0.0022 0.0072 0.0072
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0125 0.0237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0005 0.0009
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0008 0.0446
Brugia malayi beta-lactamase family protein 0.0038 0.0173 0.0329
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0173 1
Echinococcus granulosus lamin dm0 0.0026 0.0102 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0005 0.0009
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0015 0.0028
Brugia malayi Cytochrome P450 family protein 0.003 0.0125 0.0237
Brugia malayi PHD-finger family protein 0.001 0.0001 0.0001
Brugia malayi nuclear receptor NHR-88 0.0011 0.0005 0.0009
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0128 0.0263
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0173 0.0741
Loa Loa (eye worm) hypothetical protein 0.0031 0.0128 0.0244
Loa Loa (eye worm) hypothetical protein 0.0061 0.0313 0.0596
Echinococcus granulosus death domain containing protein 0.0014 0.0026 0.0049
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0173 0.0741
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.001 0.0001 0.0002
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0005 0.0009
Loa Loa (eye worm) beta-lactamase 0.0038 0.0173 0.0329
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.0501
Brugia malayi DOMON domain containing protein 0.0165 0.0956 0.182
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0863 0.5253 1
Brugia malayi Cytochrome P450 family protein 0.0022 0.0072 0.0137
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0005 0.0009
Loa Loa (eye worm) DOMON domain-containing protein 0.0165 0.0956 0.182
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0005 0.0005
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0008 0.0446
Loa Loa (eye worm) CYP4Cod1 0.003 0.0125 0.0237
Echinococcus granulosus intermediate filament protein 0.0026 0.0102 0.0194
Loa Loa (eye worm) hypothetical protein 0.0014 0.0026 0.0049
Echinococcus granulosus cytochrome P450 2K1 0.0022 0.0072 0.0137
Onchocerca volvulus 0.0038 0.0173 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0168 0.0168
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0168 0.032
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0005 0.0009
Brugia malayi intermediate filament protein 0.0026 0.0102 0.0194
Loa Loa (eye worm) hypothetical protein 0.0038 0.0173 0.0329
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0008 0.0446
Brugia malayi nuclear hormone receptor 0.0011 0.0005 0.0009
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0022 0.0072 0.4162
Brugia malayi steroid hormone receptor 0.0011 0.0005 0.0009
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0202 0.0385
Loa Loa (eye worm) hypothetical protein 0.0013 0.0017 0.0033
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0025 0.0051
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0173 0.0741
Echinococcus multilocularis musashi 0.0026 0.0102 0.0194
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0068 0.0207
Echinococcus multilocularis 0.0022 0.0072 0.0137
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0026 0.0049
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0005 0.0005
Schistosoma mansoni lamin 0.0026 0.0102 0.0102
Giardia lamblia PHD finger protein 15 0.0031 0.0128 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0173 0.0329
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0005 0.0009
Brugia malayi beta-lactamase family protein 0.0038 0.0173 0.0329
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0173 0.0173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0005 0.0009
Onchocerca volvulus Netrin receptor homolog 0.0014 0.0026 0.0073
Echinococcus multilocularis peregrin 0.0031 0.0128 0.0244
Mycobacterium tuberculosis Conserved protein 0.0038 0.0173 0.0741
Brugia malayi jmjC domain containing protein 0.0101 0.0559 0.1064
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.0079
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0005 0.0009
Schistosoma mansoni hypothetical protein 0.0031 0.0128 0.0128
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0383 0.073
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0128 0.0263
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0168 0.032
Brugia malayi DOMON domain containing protein 0.0165 0.0956 0.182
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0173 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0423 0.2546 0.4847
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0438 0.2635 0.5017
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0017 0.0033
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0026 0.005
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0005 0.0005
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0173 0.0741
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0026 0.0049
Onchocerca volvulus Alhambra homolog 0.0031 0.0128 0.0426
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0173 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0026 0.005
Echinococcus granulosus Ankyrin 0.0014 0.0026 0.005
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0005 0.0009
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0026 0.0026
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0128 0.0244
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0022 0.0072 0.4162
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Onchocerca volvulus 0.0026 0.0102 0.0335
Onchocerca volvulus 0.0482 0.2907 1
Plasmodium vivax SET domain protein, putative 0.0061 0.0313 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0128 0.0244
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0125 0.7224
Loa Loa (eye worm) RecQ helicase 0.0021 0.0068 0.0129
Leishmania major cytochrome p450-like protein 0.0022 0.0072 0.4162
Brugia malayi AF-10 protein 0.001 0.0001 0.0001
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0128 0.0244
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0026 0.0049
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0425 0.2556 0.4866
Trypanosoma brucei cytochrome P450, putative 0.003 0.0125 0.7224
Brugia malayi Uncoordinated protein 44 0.0014 0.0026 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0313 0.0313
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0068 0.0207
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0028
Brugia malayi Death domain containing protein 0.0014 0.0026 0.0049
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0005 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0005 0.0009
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0005 0.0009
Leishmania major cytochrome p450-like protein 0.003 0.0125 0.7224
Echinococcus multilocularis Ankyrin 0.0014 0.0026 0.005
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0128 0.4097
Trichomonas vaginalis esterase, putative 0.0038 0.0173 0.0569
Schistosoma mansoni cytochrome P450 0.0022 0.0072 0.0072
Brugia malayi beta-lactamase 0.0038 0.0173 0.0329
Schistosoma mansoni coup transcription factor 0.0011 0.0005 0.0005
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0559 0.1064
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0005 0.0005
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0068 0.0129
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0173 0.0329
Onchocerca volvulus 0.0061 0.0313 0.1062
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0313 0.0596
Loa Loa (eye worm) hypothetical protein 0.0863 0.5253 1
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0005 0.0009
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0383 0.073
Brugia malayi cytochrome P450 0.0022 0.0072 0.0137
Brugia malayi Pre-SET motif family protein 0.0061 0.0313 0.0596
Onchocerca volvulus 0.0165 0.0956 0.3279
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0313 0.0313
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0863 0.5253 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0005 0.0009
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0863 0.5253 0.5253
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0173 0.0741
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0863 0.5253 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0863 0.5253 0.5253
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0008 0.5
Schistosoma mansoni hypothetical protein 0.001 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0005 0.0009
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0168 0.032
Toxoplasma gondii cytochrome p450 superfamily protein 0.0801 0.487 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0005 0.0009
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0099 0.0188
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0068 0.0129
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.1432 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.001 0.0001 0.006
Brugia malayi jmjC domain containing protein 0.0037 0.0168 0.032
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0005 0.0005
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0313 0.0596
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0005 0.0009
Schistosoma mansoni jumonji domain containing protein 0.008 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0014 0.0026 0.005
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0026 0.0049
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0173 0.0569
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0173 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0022 0.0072 0.4162
Loa Loa (eye worm) DOMON domain-containing protein 0.0165 0.0956 0.182
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0005 0.0009
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0299 0.0569
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0005 0.0005
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0052 0.4061
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.001 0.0001 0.0045
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0173 0.0329
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0005 0.0009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0313 0.0313
Loa Loa (eye worm) DOMON domain-containing protein 0.0165 0.0956 0.182
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0102 0.0194
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0173 0.5518
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0313 0.0596
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0863 0.5253 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0005 0.0009
Echinococcus granulosus lamin 0.0026 0.0102 0.0194
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0125 0.7224
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0173 0.0329
Loa Loa (eye worm) hypothetical protein 0.0038 0.0173 0.0329
Mycobacterium ulcerans lipase LipD 0.0038 0.0173 1
Loa Loa (eye worm) hypothetical protein 0.0863 0.5253 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0005 0.0005
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0012 0.0015 0.0015
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.1337 0.2545
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0005 0.0009
Mycobacterium leprae Probable lipase LipE 0.0038 0.0173 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0026 0.0049
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0005 0.0009
Brugia malayi PHD-finger family protein 0.0031 0.0128 0.0244
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0005 0.0005
Schistosoma mansoni intermediate filament proteins 0.0026 0.0102 0.0102
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.033 0.0628
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0005 0.0009
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0005 0.0009
Toxoplasma gondii ABC1 family protein 0.0038 0.0173 0.0354
Mycobacterium tuberculosis Conserved protein 0.0038 0.0173 0.0741
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0313 0.0642
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0005 0.0005
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0022 0.0072 0.4162
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0173 0.0569
Echinococcus granulosus peregrin 0.0031 0.0128 0.0244
Loa Loa (eye worm) hypothetical protein 0.0038 0.0173 0.0329
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0173 0.0569
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0313 0.0313
Brugia malayi Cytochrome P450 family protein 0.003 0.0125 0.0237
Mycobacterium ulcerans beta-lactamase 0.0038 0.0173 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0102 0.0194
Brugia malayi Protein kinase domain containing protein 0.0014 0.0026 0.0049
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0005 0.0009
Echinococcus multilocularis lamin 0.0026 0.0102 0.0194
Brugia malayi Pre-SET motif family protein 0.0423 0.2546 0.4847
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0194
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0001
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0014 0.0026 0.0831
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0005 0.0009
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.0125 0.5246
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0173 0.0569
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0173 0.0741
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0009
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0173 0.0329
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0005 0.0009
Echinococcus multilocularis lamin dm0 0.0026 0.0102 0.0194
Schistosoma mansoni hypothetical protein 0.0014 0.0026 0.0026
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0005 0.0009
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0005 0.0005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0173 0.0173
Leishmania major cytochrome p450-like protein 0.0022 0.0072 0.4162
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0017 0.0033
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0125 0.0237
Brugia malayi Bromodomain containing protein 0.0031 0.0128 0.0244
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0102 0.0194
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0022 0.0072 0.4162
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0559 0.1064
Onchocerca volvulus 0.0038 0.0173 0.0579
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0005 0.0009
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0173 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0173 0.0741
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0173 0.0329
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0005 0.0009
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0173 1

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 227 nM hr Tested for the pharmacokinetic data, area under the curve of concentration versus time in dog ChEMBL. 11844665
Cmax (ADMET) = 220 nM Tested for the pharmacokinetic data, maximum concentration (Cmax) of the compound in dog ChEMBL. 11844665
T max (ADMET) = 40 nM Tested for the pharmacokinetic data, time required to reach Cmax (Tmax) of the compound in dog ChEMBL. 11844665
T1/2 (ADMET) = 23.9 min Tested for the half life period of the compound in dog ChEMBL. 11844665

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.
 
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

1 literature reference was collected for this gene.

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