Detailed information for compound 1823372

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.978 | Formula: C29H25ClFN3O4
  • H donors: 1 H acceptors: 3 LogP: 4.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CCCCc1nc2cc(ccc2c(=O)n1c1ccc(cc1)F)C1=NO[C@](C1)(C)c1ccc(cc1)Cl
  • InChi: 1S/C29H25ClFN3O4/c1-29(19-7-9-20(30)10-8-19)17-25(33-38-29)18-6-15-23-24(16-18)32-26(4-2-3-5-27(35)36)34(28(23)37)22-13-11-21(31)12-14-22/h6-16H,2-5,17H2,1H3,(H,35,36)/t29-/m0/s1
  • InChiKey: PISYFHHBEMNTSJ-LJAQVGFWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin D2 receptor 2 Starlite/ChEMBL References

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
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.064 0.0805
Schistosoma mansoni jumonji/arid domain-containing protein 0.0185 0.2179 0.2827
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.0931 0.1187
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0306 0.0196
Echinococcus granulosus histone lysine methyltransferase setb 0.0079 0.0829 0.1054
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.117 0.1912
Loa Loa (eye worm) hypothetical protein 0.0038 0.0306 0.0446
Echinococcus granulosus jumonji domain containing protein 0.0147 0.1694 0.219
Schistosoma mansoni hypothetical protein 0.0028 0.0175 0.0196
Echinococcus multilocularis musashi 0.0026 0.0156 0.0157
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0156 0.0228
Brugia malayi chromobox protein homolog 3 0.0038 0.0306 0.0446
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0028 0.0175 0.0256
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0295 0.0327
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0391 0.4794 0.7972
Echinococcus multilocularis GPCR, family 2 0.0028 0.0175 0.0181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.0931 0.1187
Brugia malayi jmjC domain containing protein 0.0049 0.045 0.0658
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0079 0.0829 0.1054
Brugia malayi hypothetical protein 0.0145 0.1667 0.2435
Echinococcus multilocularis lysine specific demethylase 5A 0.0185 0.2179 0.2618
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0685 0.0661
Loa Loa (eye worm) hypothetical protein 0.0026 0.0156 0.0227
Brugia malayi hypothetical protein 0.0441 0.5432 0.7933
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0028 0.0175 0.0196
Schistosoma mansoni survival motor neuron protein 0.009 0.0966 0.1234
Treponema pallidum fructose-bisphosphate aldolase 0.0801 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.0067
Schistosoma mansoni lamin 0.0026 0.0156 0.017
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.045 0.0657
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0486 0.6007 1
Echinococcus multilocularis jumonji domain containing 1A 0.0049 0.045 0.0515
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.064 0.0934
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0035 0.0261 0.383
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.117 0.172
Onchocerca volvulus 0.009 0.0971 0.1063
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0079 0.0829 0.7038
Schistosoma mansoni phd/f-box containing protein 0.0049 0.045 0.0557
Plasmodium falciparum JmjC domain-containing protein, putative 0.0049 0.045 0.3716
Loa Loa (eye worm) hypothetical protein 0.0049 0.045 0.0657
Loa Loa (eye worm) hypothetical protein 0.0026 0.015 0.0218
Toxoplasma gondii thioredoxin reductase 0.0046 0.0413 0.3387
Brugia malayi F/Y-rich N-terminus family protein 0.0038 0.0298 0.0436
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0413 0.0602
Plasmodium vivax glutathione reductase, putative 0.0046 0.0413 0.3387
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.064 0.0746
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0205 0.2918
Loa Loa (eye worm) hypothetical protein 0.01 0.1095 0.1598
Loa Loa (eye worm) hypothetical protein 0.0079 0.0829 0.121
Trichomonas vaginalis set domain proteins, putative 0.0629 0.7818 0.7812
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.064 0.0444
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0413 0.047
Echinococcus granulosus PHD finger protein rhinoceros 0.0106 0.1167 0.1498
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0413 0.0507
Loa Loa (eye worm) hypothetical protein 0.0148 0.1698 0.2479
Mycobacterium ulcerans hypothetical protein 0.0089 0.0956 0.1554
Echinococcus multilocularis lamin dm0 0.0026 0.0156 0.0157
Echinococcus granulosus chromobox protein 1 0.0068 0.0685 0.0865
Brugia malayi jmjC domain containing protein 0.0049 0.045 0.0658
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.009 0.0966 0.1411
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0028 0.0175 0.0181
Onchocerca volvulus 0.009 0.0966 0.1057
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0079 0.0829 0.0976
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0049 0.045 0.691
Loa Loa (eye worm) hypothetical protein 0.0197 0.2323 0.3392
Echinococcus multilocularis lamin 0.0026 0.0156 0.0157
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0049 0.045 0.3716
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0049 0.045 0.691
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.0067
Brugia malayi Heterochromatin protein 1 0.0068 0.0685 0.1001
Echinococcus granulosus geminin 0.0615 0.7642 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0035 0.0261 0.383
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0486 0.6007 1
Brugia malayi latrophilin 2 splice variant baaae 0.006 0.0586 0.0856
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0342 0.0317
Brugia malayi Inositol-1 0.003 0.0205 0.03
Giardia lamblia Fructose-bisphosphate aldolase 0.0801 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.064 0.0935
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0164 0.0138
Brugia malayi Pre-SET motif family protein 0.0553 0.6847 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0087 0.0931 0.11
Loa Loa (eye worm) glutathione reductase 0.0046 0.0413 0.0602
Plasmodium vivax SET domain protein, putative 0.0079 0.0829 0.7038
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0148 0.1698 0.2012
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0026 0.0039
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0089 0.0956 0.8146
Echinococcus granulosus survival motor neuron protein 1 0.0441 0.5432 0.7098
Echinococcus granulosus lysine specific demethylase 5A 0.0185 0.2179 0.2827
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1321 0.2164
Schistosoma mansoni hypothetical protein 0.0615 0.7642 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0342 0.0317
Loa Loa (eye worm) hypothetical protein 0.0035 0.0261 0.0381
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0079 0.0829 0.1054
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0038 0.0298 0.0357
Brugia malayi Thioredoxin reductase 0.0046 0.0413 0.0603
Leishmania major hypothetical protein, conserved 0.0049 0.045 0.691
Loa Loa (eye worm) hypothetical protein 0.0028 0.0175 0.0255
Mycobacterium tuberculosis Probable reductase 0.0106 0.117 0.1912
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0404 0.4958 0.5997
Echinococcus granulosus intermediate filament protein 0.0026 0.0156 0.017
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.009 0.0971 0.124
Loa Loa (eye worm) PHD-finger family protein 0.0106 0.1167 0.1704
Schistosoma mansoni inositol monophosphatase 0.003 0.0205 0.0235
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0049 0.045 0.0557
Schistosoma mansoni chromobox protein 0.0068 0.0685 0.0865
Echinococcus multilocularis survival motor neuron protein 1 0.0441 0.5432 0.6574
Brugia malayi PHD-finger family protein 0.0035 0.0261 0.0382
Trichomonas vaginalis myo inositol monophosphatase, putative 0.003 0.0205 0.0179
Schistosoma mansoni hypothetical protein 0.0028 0.0175 0.0196
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0391 0.4794 0.7972
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0088 0.094 0.1371
Echinococcus granulosus JmjC domain containing protein 4 0.0049 0.045 0.0557
Echinococcus multilocularis chromobox protein 1 0.0068 0.0685 0.0801
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0295 0.0353
Plasmodium falciparum glutathione reductase 0.0046 0.0413 0.3387
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0205 0.2918
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0035 0.0261 0.206
Schistosoma mansoni hypothetical protein 0.0615 0.7642 1
Brugia malayi PHD-finger family protein 0.0106 0.1167 0.1705
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0164 0.0138
Loa Loa (eye worm) hypothetical protein 0.006 0.0586 0.0855
Schistosoma mansoni inositol monophosphatase 0.003 0.0205 0.0235
Loa Loa (eye worm) hypothetical protein 0.0145 0.1667 0.2434
Schistosoma mansoni protein phosphatase 2C 0.0049 0.045 0.0557
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.117 0.1912
Schistosoma mansoni hypothetical protein 0.0028 0.0175 0.0196
Brugia malayi hypothetical protein 0.01 0.1095 0.1599
Treponema pallidum licC protein (licC) 0.0089 0.0956 0.0932
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0261 0.206
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0404 0.4958 0.6475
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.045 0.0657
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0087 0.0931 0.11
Plasmodium falciparum phd finger protein, putative 0.0106 0.1167 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1321 0.2164
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0486 0.6007 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0106 0.1167 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0028 0.0175 0.0255
Schistosoma mansoni hypothetical protein 0.006 0.0586 0.0735
Brugia malayi Pre-SET motif family protein 0.0079 0.0829 0.1211
Loa Loa (eye worm) inositol-1 0.003 0.0205 0.0299
Plasmodium vivax JmjC domain containing protein 0.0049 0.045 0.3716
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.003 0.0205 0.1569
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.045 0.0657
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.064 0.0805
Giardia lamblia PHD finger protein 15 0.0106 0.1167 0.1144
Schistosoma mansoni phosphatidylserine receptor 0.0049 0.045 0.0557
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0088 0.094 0.1372
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0801 1 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.064 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0413 0.6298
Echinococcus granulosus GPCR family 2 0.0028 0.0175 0.0196
Brugia malayi jmjC domain containing protein 0.0049 0.045 0.0658
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.003 0.0205 0.0299
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0413 0.3387
Trichomonas vaginalis inositol monophosphatase, putative 0.003 0.0205 0.0179
Loa Loa (eye worm) hypothetical protein 0.0106 0.1167 0.1704
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0028 0.0175 0.0181
Echinococcus granulosus lysine specific demethylase 6a 0.0049 0.045 0.0557
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0079 0.0829 0.1054
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0035 0.0261 0.206
Echinococcus multilocularis chromobox protein 1 0.0068 0.0685 0.0801
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0106 0.1167 0.1498
Echinococcus multilocularis phd:f box containing protein 0.0049 0.045 0.0515
Echinococcus multilocularis geminin 0.0615 0.7642 0.9262
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0156 0.0227
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0219 0.26 0.3796
Schistosoma mansoni jumonji domain containing protein 0.0333 0.4052 0.5286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.0931 0.1187
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0271 0.0322
Echinococcus multilocularis jumonji domain containing protein 0.0147 0.1694 0.2028
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0049 0.045 0.3716
Echinococcus granulosus inositol monophosphatase 1 0.003 0.0205 0.0235
Schistosoma mansoni lamin 0.0026 0.0156 0.017
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0089 0.0956 0.1554
Echinococcus granulosus peregrin 0.0106 0.1167 0.1498
Loa Loa (eye worm) hypothetical protein 0.01 0.1095 0.1598
Onchocerca volvulus 0.0145 0.1667 0.1972
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0027 0.0165 0.0232
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0413 0.6298
Brugia malayi hypothetical protein 0.0035 0.0271 0.0396
Onchocerca volvulus Huntingtin homolog 0.01 0.1095 0.1225
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0486 0.6007 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0663 0.8249 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0089 0.0956 0.1554
Brugia malayi jmjC domain containing protein 0.0049 0.045 0.0658
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.003 0.0205 0.0299
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0087 0.0931 0.1359
Echinococcus granulosus phd:f box containing protein 0.0049 0.045 0.0557
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0205 0.2918
Brugia malayi Bromodomain containing protein 0.0106 0.1167 0.1705
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0293
Echinococcus multilocularis PHD finger protein rhinoceros 0.0106 0.1167 0.1387
Brugia malayi AF-10 protein 0.0035 0.0261 0.0382
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.064 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0087 0.0931 0.1187
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0685 0.0661
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0553 0.6847 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0342 0.0244
Echinococcus multilocularis JmjC domain containing protein 4 0.0049 0.045 0.0515
Echinococcus multilocularis lysine specific demethylase 6a 0.0049 0.045 0.0515
Echinococcus multilocularis inositol monophosphatase 1 0.003 0.0205 0.0218
Plasmodium vivax hypothetical protein, conserved 0.0106 0.1167 1
Onchocerca volvulus Huntingtin homolog 0.01 0.1095 0.1225
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.0067
Loa Loa (eye worm) hypothetical protein 0.0441 0.5432 0.7933
Brugia malayi glutathione reductase 0.0046 0.0413 0.0603
Echinococcus granulosus jumonji domain containing 1A 0.0049 0.045 0.0557
Trichomonas vaginalis myo inositol monophosphatase, putative 0.003 0.0205 0.0179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Echinococcus multilocularis peregrin 0.0106 0.1167 0.1387
Schistosoma mansoni hypothetical protein 0.009 0.0966 0.1234
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0801 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0271 0.0067
Echinococcus granulosus lamin 0.0026 0.0156 0.017
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.064 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0049 0.045 0.691
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.045 0.0657
Brugia malayi Latrophilin receptor protein 2 0.0028 0.0175 0.0256
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0049 0.045 0.0515
Schistosoma mansoni chromobox protein 0.0068 0.0685 0.0865
Brugia malayi intermediate filament protein 0.0026 0.0156 0.0228
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0271 0.0298
Onchocerca volvulus 0.003 0.0201 0.0059
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0049 0.045 0.0557
Schistosoma mansoni jumonji domain containing protein 0.0049 0.045 0.0557
Mycobacterium ulcerans hypothetical protein 0.0089 0.0956 0.1554
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.117 0.1912
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0087 0.0931 0.1187
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0391 0.4794 0.7924
Onchocerca volvulus 0.0629 0.7818 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1321 0.1978
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.064 1
Echinococcus granulosus chromobox protein 1 0.0068 0.0685 0.0865
Plasmodium falciparum thioredoxin reductase 0.0046 0.0413 0.3387
Schistosoma mansoni hypothetical protein 0.0035 0.0271 0.0322
Loa Loa (eye worm) jmjC domain-containing protein 0.0185 0.2179 0.3182
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0079 0.0829 0.0976
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0156 0.0227
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0306 0.028
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.117 0.1912
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0028 0.0175 0.0196
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0026 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0413 0.0646
Brugia malayi jmjC domain containing protein 0.0404 0.4958 0.724
Schistosoma mansoni intermediate filament proteins 0.0026 0.0156 0.017
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0271 0.0322
Schistosoma mansoni hypothetical protein 0.0035 0.0261 0.0308
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0685 0.1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0076 0.0792 0.1005
Toxoplasma gondii PHD-finger domain-containing protein 0.0106 0.1167 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0205 0.2918
Loa Loa (eye worm) hypothetical protein 0.0088 0.094 0.1371
Schistosoma mansoni hypothetical protein 0.0028 0.0175 0.0196
Brugia malayi N-terminal motif family protein 0.0148 0.1698 0.248
Brugia malayi Calcitonin receptor-like protein seb-1 0.0088 0.094 0.1372
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.117 0.1912
Onchocerca volvulus Alhambra homolog 0.0106 0.1167 0.132
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0087 0.0931 0.1358
Schistosoma mansoni hypothetical protein 0.0106 0.1167 0.1498
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0001 0.0001
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0261 0.206
Mycobacterium tuberculosis Conserved hypothetical protein 0.0089 0.0956 0.1554
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0306 0.028
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1321 0.2164
Echinococcus granulosus lamin dm0 0.0026 0.0156 0.017
Leishmania major trypanothione reductase 0.0046 0.0413 0.6298
Schistosoma mansoni jumonji/arid domain-containing protein 0.0185 0.2179 0.2827
Brugia malayi jmjC domain containing protein 0.0185 0.2179 0.3183

Activities

Activity type Activity value Assay description Source Reference
CLH (ADMET) = 3.6 ml/min Clearance in human hepatocytes ChEMBL. 24556380
IC50 (functional) = 10.5 nM Antagonist activity at human CRTH2 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 10 mins followed by forskolin challenge measured after 10 to 60 mins by ELISA assay ChEMBL. 24556380
Ki (binding) = 2.6 nM Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins followed by PGD2 challenge measured after 60 mins by chemiluminescence assay ChEMBL. 24556380

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.

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