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

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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