Detailed information for compound 508524

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.895 | Formula: C25H20ClF2N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cn1nc(cc1C)NC(=O)c1c(F)cccc1F)OCc1ccccc1
  • InChi: 1S/C25H20ClF2N3O2/c1-16-12-23(29-25(32)24-20(27)8-5-9-21(24)28)30-31(16)14-18-13-19(26)10-11-22(18)33-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,29,30,32)
  • InChiKey: MBIMMHWNYUQYKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Loa Loa (eye worm) hypothetical protein 0.0061 0.0836 0.0834
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0374 0.6131 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0897 0.0895
Mycobacterium tuberculosis Probable glycerol-3-phosphate acyltransferase PlsB2 (GPAT) 0.0047 0.0608 0.1823
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0083 0.1216 0.198
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Schistosoma mansoni hypothetical protein 0.0049 0.0636 0.1034
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0118 0.1802 0.5061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Plasmodium falciparum M17 leucyl aminopeptidase 0.007 0.0992 0.1689
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0358 0.5859 1
Brugia malayi follicle stimulating hormone receptor 0.0228 0.3658 0.3656
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0163 0.019
Loa Loa (eye worm) hypothetical protein 0.0061 0.0836 0.0834
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.1783 0.5896
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.059 0.176
Loa Loa (eye worm) hypothetical protein 0.0309 0.5026 0.5024
Loa Loa (eye worm) hypothetical protein 0.0187 0.2967 0.2965
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.065 0.5347
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.059 0.1003
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0581 0.0944
Plasmodium falciparum thioredoxin reductase 0.0046 0.059 0.1003
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0061 0.0836 0.1297
Schistosoma mansoni endothelin-converting enzyme-related 0.0046 0.0581 0.0944
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0061 0.0836 0.1424
Loa Loa (eye worm) POT family protein 0.0042 0.0518 0.0516
Trypanosoma brucei trypanothione reductase 0.0046 0.059 0.485
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0083 0.1216 0.3281
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0374 0.6131 0.613
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Mycobacterium ulcerans zinc metalloprotease 0.0187 0.2967 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0082 0.0674
Schistosoma mansoni hypothetical protein 0.0049 0.0636 0.1034
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.007 0.0992 0.8159
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0897 0.1397
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0082 0.0674
Trichomonas vaginalis CMGC family protein kinase 0.005 0.065 0.1754
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0047 0.0076
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0118 0.1802 0.3072
Echinococcus granulosus mitogen activated protein kinase 0.005 0.065 0.099
Echinococcus multilocularis apoptotic protease activating factor 1 0.0031 0.0331 0.0465
Brugia malayi Thioredoxin reductase 0.0046 0.059 0.0587
Schistosoma mansoni hypothetical protein 0.0024 0.0222 0.0358
Brugia malayi peptidase family M13 containing protein 0.0046 0.0581 0.0579
Toxoplasma gondii aminopeptidase N protein 0.0358 0.5859 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392
Brugia malayi Pre-SET motif family protein 0.0203 0.3233 0.3231
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0048 0.0615 0.0613
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.1585 0.521
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.059 0.485
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.007 0.0992 0.8159
Trypanosoma cruzi dihydroxyacetone phosphate acyltransferase, putative 0.0048 0.0618 0.5083
Trypanosoma cruzi aminopeptidase, putative 0.0061 0.0836 0.6881
Brugia malayi MAP kinase sur-1 0.005 0.065 0.0648
Brugia malayi Cell death protein 3 precursor 0.0031 0.0331 0.0328
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392
Trypanosoma brucei Aminopeptidase M1, putative 0.0083 0.1216 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0331 0.0328
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0082 0.0136
Loa Loa (eye worm) hypothetical protein 0.0138 0.2144 0.2142
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0374 0.6131 1
Schistosoma mansoni hypothetical protein 0.0049 0.0636 0.1034
Brugia malayi glutathione reductase 0.0046 0.059 0.0587
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0897 0.0895
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0049 0.0636 0.1034
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0083 0.1216 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.065 0.0648
Echinococcus granulosus aminopeptidase N 0.0166 0.2618 0.4225
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0303 0.042
Toxoplasma gondii hypothetical protein 0.0047 0.0608 0.1034
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0082 0.013
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0163 0.0161
Plasmodium falciparum plasmepsin I 0.0048 0.0615 0.1047
Giardia lamblia Kinase, CMGC MAPK 0.005 0.065 1
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0014 0.0048 0.0045
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0303 0.0491
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0083 0.1216 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0581 0.0944
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.059 0.0587
Onchocerca volvulus 0.0029 0.0303 0.0812
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.065 0.5347
Loa Loa (eye worm) hypothetical protein 0.0138 0.2144 0.2142
Mycobacterium tuberculosis Possible acyltransferase PlsB1 0.0048 0.0618 0.1858
Plasmodium vivax glutathione reductase, putative 0.0046 0.059 0.1003
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.059 0.0891
Loa Loa (eye worm) hypothetical protein 0.0083 0.1215 0.1212
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.007 0.0992 0.8159
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.007 0.0992 0.8159
Brugia malayi Peptidase family M1 containing protein 0.0061 0.0836 0.0834
Plasmodium vivax plasmepsin IV, putative 0.0048 0.0615 0.1047
Schistosoma mansoni serine/threonine protein kinase 0.005 0.065 0.1057
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0061 0.0836 0.6881
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0022 0.0192 0.1579
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0897 0.146
Loa Loa (eye worm) aminopeptidase N 0.0083 0.1216 0.1214
Loa Loa (eye worm) hypothetical protein 0.0187 0.2967 0.2965
Brugia malayi hypothetical protein 0.0083 0.1216 0.1214
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0061 0.0836 0.6881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0303 0.0491
Mycobacterium leprae probable zinc metalloprotease 0.0187 0.2967 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0285 0.039
Mycobacterium tuberculosis Probable reductase 0.0105 0.1585 0.521
Schistosoma mansoni hypothetical protein 0.0049 0.0636 0.1034
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0897 0.7382
Echinococcus granulosus endothelin converting enzyme 1 0.0187 0.2967 0.4799
Echinococcus granulosus leucine aminopeptidase protein 0.0118 0.1802 0.2883
Loa Loa (eye worm) hypothetical protein 0.0141 0.2199 0.2197
Loa Loa (eye worm) hypothetical protein 0.0061 0.0836 0.0834
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0014 0.005 0.0081
Loa Loa (eye worm) hypothetical protein 0.0141 0.2199 0.2197
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0082 0.0136
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0061 0.0836 0.6881
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0094 0.1404 0.2287
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.065 0.1106
Echinococcus granulosus leukotriene A 4 hydrolase 0.0374 0.6131 1
Plasmodium falciparum plasmepsin IV 0.0048 0.0615 0.1047
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.0331 0.0535
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.065 0.5347
Mycobacterium ulcerans glycerol-3-phosphate acyltransferase 0.0048 0.0618 0.1858
Loa Loa (eye worm) hypothetical protein 0.0138 0.2144 0.2142
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0048 0.0615 0.1047
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0082 0.0136
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.065 0.5347
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.1585 0.521
Loa Loa (eye worm) hypothetical protein 0.0141 0.2199 0.2197
Plasmodium vivax aspartyl proteinase, putative 0.0048 0.0615 0.1047
Brugia malayi hypothetical protein 0.0314 0.5107 0.5106
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.065 0.099
Loa Loa (eye worm) TATA binding protein associated factor 0.0061 0.0836 0.0834
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0014 0.0048 0.0045
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.1585 0.521
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.065 0.099
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0187 0.2967 0.2965
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.001 0.0008
Toxoplasma gondii leucyl aminopeptidase LAP 0.0118 0.1802 0.3072
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0061 0.0836 0.1361
Loa Loa (eye worm) hypothetical protein 0.0141 0.2199 0.2197
Loa Loa (eye worm) hypothetical protein 0.0138 0.2144 0.2142
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0061 0.0836 0.6881
Onchocerca volvulus 0.0083 0.1216 0.3277
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0163 0.0441
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0082 0.0674
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0303 0.042
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0082 0.0079
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0061 0.0836 0.6881
Loa Loa (eye worm) hypothetical protein 0.0048 0.0618 0.0616
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0082 0.0674
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0441 0.0646
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0061 0.0836 0.2258
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.009 0.0142
Echinococcus multilocularis leucine aminopeptidase protein 0.0118 0.1802 0.2883
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0022 0.0192 0.0309
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0897 0.1397
Schistosoma mansoni hypothetical protein 0.0031 0.0331 0.0535
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0082 0.0674
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0604 1 1
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392
Toxoplasma gondii aspartyl protease ASP1 0.0048 0.0615 0.1047
Brugia malayi hypothetical protein 0.0061 0.0836 0.0834
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0046 0.0581 0.0944
Trypanosoma brucei aminopeptidase, putative 0.0061 0.0836 0.6881
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0082 0.0674
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0303 0.0514
Toxoplasma gondii peptidase family M13 protein 0.0187 0.2967 0.5062
Loa Loa (eye worm) hypothetical protein 0.0141 0.2199 0.2197
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Plasmodium falciparum glutathione reductase 0.0016 0.0082 0.0136
Toxoplasma gondii acyltransferase domain-containing protein 0.0048 0.0618 0.1051
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0441 0.0646
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.065 0.5347
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0083 0.1216 0.192
Trichomonas vaginalis CMGC family protein kinase 0.005 0.065 0.1754
Schistosoma mansoni cathepsin D (A01 family) 0.014 0.2179 0.3552
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0048 0.0615 0.0933
Loa Loa (eye worm) glutathione reductase 0.0046 0.059 0.0587
Schistosoma mansoni leucine aminopeptidase 0.0014 0.0048 0.0074
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0187 0.2967 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Loa Loa (eye worm) hypothetical protein 0.0031 0.0331 0.0328
Chlamydia trachomatis cytosol aminopeptidase 0.0118 0.1802 1
Schistosoma mansoni hypothetical protein 0.0049 0.0636 0.1034
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.059 0.0891
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0014 0.0048 0.0074
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0187 0.2967 0.4837
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0014 0.0048 0.0045
Trypanosoma cruzi Aminopeptidase M1, putative 0.0083 0.1216 1
Plasmodium falciparum plasmepsin II 0.0048 0.0615 0.1047
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.065 0.5347
Echinococcus multilocularis caspase 2 0.0031 0.0331 0.0465
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.1783 0.4981
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0615 0.1
Brugia malayi Pre-SET motif family protein 0.0029 0.0303 0.0301
Mycobacterium ulcerans aminopeptidase N PepN 0.0061 0.0836 0.2615
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0083 0.1216 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0082 0.0056
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0082 0.0136
Onchocerca volvulus 0.0093 0.1375 0.3708
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Brugia malayi TATA binding protein associated factor 0.0061 0.0836 0.0834
Schistosoma mansoni neprilysin-2 (M13 family) 0.0094 0.1404 0.2287
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.3233 0.3231
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0048 0.0615 0.0933
Brugia malayi Acyltransferase family protein 0.0048 0.0618 0.0616
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0082 0.0056
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0082 0.0674
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0303 0.0491
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0082 0.0136
Trypanosoma cruzi aminopeptidase, putative 0.0083 0.1216 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.1585 0.521
Brugia malayi Peptidase family M1 containing protein 0.0166 0.2618 0.2616
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.1585 0.521
Loa Loa (eye worm) peptidase family M13 containing protein 0.0138 0.2144 0.2142
Onchocerca volvulus 0.0231 0.3705 1
Mycobacterium ulcerans leucyl aminopeptidase 0.0118 0.1802 0.5961
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0897 0.7382
Plasmodium falciparum glutathione reductase 0.0046 0.059 0.1003
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0897 0.7382
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Echinococcus granulosus apoptotic protease activating factor 1 0.0031 0.0331 0.0465
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0022 0.0192 0.0237
Brugia malayi hypothetical protein 0.0031 0.0331 0.0328
Loa Loa (eye worm) hypothetical protein 0.0048 0.0615 0.0613
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Onchocerca volvulus 0.0031 0.0331 0.0886
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0082 0.0674
Schistosoma mansoni aminopeptidase A (M01 family) 0.0061 0.0836 0.1361
Loa Loa (eye worm) hypothetical protein 0.0093 0.1375 0.1373
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.065 0.5347
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Loa Loa (eye worm) peptidase family M1 containing protein 0.0144 0.2238 0.2237
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.1783 0.5896
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0301
Plasmodium vivax SET domain protein, putative 0.0029 0.0303 0.0514
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0082 0.0674
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0121 0.0202
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.065 0.099
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0358 0.5859 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0192 0.0189
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0581 0.0944
Onchocerca volvulus 0.0061 0.0836 0.2252
Loa Loa (eye worm) hypothetical protein 0.0022 0.0192 0.0189
Brugia malayi cytosol aminopeptidase 0.0014 0.0048 0.0045
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0897 0.7382
Loa Loa (eye worm) hypothetical protein 0.0141 0.2199 0.2197
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0046 0.0581 0.0944
Treponema pallidum NADH oxidase 0.0016 0.0082 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.014 0.2179 0.3552
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0061 0.0836 0.6881
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Echinococcus multilocularis aminopeptidase N 0.0166 0.2618 0.4225
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.3658 0.3656
Echinococcus granulosus caspase 2 0.0031 0.0331 0.0465
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0118 0.1802 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0082 0.0136
Trypanosoma brucei dihydroxyacetone phosphate acyltransferase, putative 0.0048 0.0618 0.5083
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0303 0.042
Trypanosoma brucei aminopeptidase, putative 0.0014 0.0048 0.0392
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0082 0.0221
Mycobacterium ulcerans aminopeptidase N PepN 0.0083 0.1216 0.393
Schistosoma mansoni hypothetical protein 0.0049 0.0636 0.1034
Loa Loa (eye worm) hypothetical protein 0.0106 0.1594 0.1592
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0083 0.1216 0.198
Leishmania major trypanothione reductase 0.0046 0.059 0.485
Echinococcus multilocularis endothelin converting enzyme 1 0.0187 0.2967 0.4799
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.001 0.0008
Onchocerca volvulus Cell death protein 3 homolog 0.0031 0.0331 0.0886
Brugia malayi Peptidase family M1 containing protein 0.0083 0.1216 0.1214
Toxoplasma gondii aminopeptidase N, putative 0.0358 0.5859 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0094 0.1404 0.2287
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0048 0.0615 0.1661
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0014 0.0048 0.0045
Brugia malayi Peptidase family M13 containing protein 0.0187 0.2967 0.2965
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0094 0.1404 0.2287
Onchocerca volvulus 0.0166 0.2618 0.7063
Schistosoma mansoni neprilysin 0.0049 0.0636 0.1034
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0094 0.1404 0.2287
Trichomonas vaginalis CMGC family protein kinase 0.005 0.065 0.1754
Plasmodium falciparum plasmepsin VI 0.0048 0.0615 0.1047
Toxoplasma gondii aminopeptidase n, putative 0.0358 0.5859 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Loa Loa (eye worm) peptidase family M13 containing protein 0.0138 0.2144 0.2142
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0303 0.0491
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0014 0.0048 0.0045
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0082 0.0221
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0083 0.1216 0.3281
Trypanosoma brucei protein kinase, putative 0.005 0.065 0.5347
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0118 0.1802 0.5961
Brugia malayi POT family protein 0.0042 0.0518 0.0516
Trypanosoma cruzi dihydroxyacetone phosphate acyltransferase, putative 0.0048 0.0618 0.5083
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0082 0.0674
Entamoeba histolytica aminopeptidase, putative 0.0083 0.1216 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.0163 0.019
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.1783 0.5896
Leishmania major dihydroxyacetonephosphate acyltransferase 0.0048 0.0618 0.5083
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0083 0.1216 0.192
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0061 0.0836 0.1297
Loa Loa (eye worm) zinc metallopeptidase 4 0.0046 0.0581 0.0579
Loa Loa (eye worm) hypothetical protein 0.0187 0.2967 0.2965
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0163 0.0441
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0083 0.1216 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.065 0.1754
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.1585 0.4142
Plasmodium falciparum thioredoxin reductase 0.0016 0.0082 0.0136
Trypanosoma brucei Aminopeptidase M1, putative 0.0083 0.1216 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3705 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0061 0.0836 0.1424
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0897 0.7382
Loa Loa (eye worm) RecQ helicase 0.0021 0.0163 0.0161
Brugia malayi hypothetical protein 0.0119 0.1813 0.1811
Toxoplasma gondii thioredoxin reductase 0.0046 0.059 0.1003
Loa Loa (eye worm) hypothetical protein 0.0017 0.0092 0.009
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0014 0.0048 0.0392

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.9 Displacement of [3H]PGE2 from human PGE2-EP1 receptor expressed in CHO-K1 cells ChEMBL. 18462938
Log D > 3.7 Distribution coefficient, logD of the compound at pH 7.4 ChEMBL. 18462938
Log IC50 (binding) = 7.9 Displacement of [3H]PGE2 from human PGE2-EP1 receptor expressed in CHO-K1 cells ChEMBL. 18462938

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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