Detailed information for compound 1013002

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.354 | Formula: C17H21NO2
  • H donors: 1 H acceptors: 2 LogP: 4.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c2c(cccc2c2c1CCCCC2)C(=O)O
  • InChi: 1S/C17H21NO2/c1-2-11-18-15-10-5-3-4-7-12(15)13-8-6-9-14(16(13)18)17(19)20/h6,8-9H,2-5,7,10-11H2,1H3,(H,19,20)
  • InChiKey: RVCKUNHESHQUNQ-UHFFFAOYSA-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 fatty acid binding protein 4, adipocyte Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein Get druggable targets OG5_144191 All targets in OG5_144191
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein Get druggable targets OG5_144191 All targets in OG5_144191
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Fatty acid-binding protein homolog precursor fatty acid binding protein 4, adipocyte 132 aa 142 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0288 0.3412 0.8524
Toxoplasma gondii aldo-keto reductase 0.0083 0.0779 0.1442
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0083 0.0779 0.1442
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0547 0.675 0.675
Mycobacterium leprae Possible oxidoreductase 0.0083 0.0779 0.1431
Loa Loa (eye worm) matrix metalloproteinase 0.0151 0.1643 0.2107
Onchocerca volvulus 0.0023 0.0007 0.0017
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.047 0.0602
Plasmodium vivax aldehyde reductase, putative 0.0083 0.0779 0.1442
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0154 0.0228
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0669 0.1618
Loa Loa (eye worm) hypothetical protein 0.0151 0.1643 0.2107
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0163 0.0209
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0288 0.3412 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0163 0.0289
Trypanosoma cruzi aldo-keto reductase 0.0288 0.3412 1
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0141 0.0261
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Onchocerca volvulus 0.0151 0.1643 0.4105
Onchocerca volvulus Matrilysin homolog 0.0151 0.1643 0.4105
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Brugia malayi Matrixin family protein 0.0151 0.1643 0.2107
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0288 0.3412 0.6309
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0163 0.0458
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0221 0.0221
Echinococcus multilocularis aldehyde reductase 0.0205 0.2339 0.2339
Trypanosoma brucei aldo-keto reductase, putative 0.0288 0.3412 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0163 0.0241
Brugia malayi beta-lactamase family protein 0.0036 0.0163 0.0209
Mycobacterium ulcerans hypothetical protein 0.0083 0.0779 0.1431
Schistosoma mansoni potassium channel beta 0.0083 0.0779 0.1886
Mycobacterium leprae Conserved hypothetical protein 0.0205 0.2339 0.432
Echinococcus multilocularis aldo keto reductase 0.0288 0.3412 0.3412
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0007 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0163 0.0048
Brugia malayi Matrixin family protein 0.0364 0.439 0.5629
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0076 0.0097
Plasmodium falciparum phd finger protein, putative 0.0029 0.0076 0.014
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0044 0.0268 0.0787
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Brugia malayi jmjC domain containing protein 0.0094 0.0918 0.1177
Leishmania major aldo-keto reductase-like protein 0.0288 0.3412 1
Brugia malayi Thioredoxin reductase 0.0037 0.0186 0.0238
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0443 0.5404 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.0268 0.0372
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Entamoeba histolytica alcohol dehydrogenase, putative 0.0083 0.0779 0.2269
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 0.3412 1
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0186 0.0545
Loa Loa (eye worm) malate dehydrogenase 0.0044 0.0268 0.0344
Trypanosoma cruzi aldo/keto reductase, putative 0.0288 0.3412 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0083 0.0779 0.2284
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0443 0.5404 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 0.3412 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0183 0.2065 0.2648
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0163 0.0066
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0629 0.78 1
Giardia lamblia Malate dehydrogenase 0.0044 0.0268 0.0577
Loa Loa (eye worm) hypothetical protein 0.0023 0.0007 0.0008
Onchocerca volvulus 0.0036 0.0163 0.0406
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0344 0.4133 0.5298
Mycobacterium ulcerans beta-lactamase 0.0036 0.0163 0.0289
Loa Loa (eye worm) hypothetical protein 0.0023 0.0007 0.0008
Schistosoma mansoni malate dehydrogenase 0.0044 0.0268 0.0649
Onchocerca volvulus 0.0214 0.2453 0.6128
Brugia malayi Bromodomain containing protein 0.0029 0.0076 0.0097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0154 0.0372
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0107 0.1076 0.3141
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0918 0.136
Mycobacterium tuberculosis Conserved protein 0.0036 0.0163 0.0458
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0141 0.0414
Echinococcus granulosus fatty acid binding protein FABP2 0.0042 0.0242 0.0358
Brugia malayi beta-lactamase family protein 0.0036 0.0163 0.0209
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0163 0.0394
Brugia malayi Hemopexin family protein 0.0214 0.2453 0.3145
Echinococcus granulosus geminin 0.0167 0.1857 0.2751
Loa Loa (eye worm) hypothetical protein 0.0151 0.1643 0.2107
Loa Loa (eye worm) oxidoreductase 0.0288 0.3412 0.4375
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0141 0.0261
Loa Loa (eye worm) matrixin family protein 0.0334 0.4003 0.5132
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0044 0.0268 0.0769
Schistosoma mansoni hypothetical protein 0.0104 0.1039 0.2513
Schistosoma mansoni aldo-keto reductase 0.0288 0.3412 0.8257
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0141 0.0414
Echinococcus multilocularis aldo keto reductase 0.0288 0.3412 0.3412
Echinococcus granulosus aldehyde reductase 0.0205 0.2339 0.3464
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0163 0.0458
Leishmania major hypothetical protein, conserved 0.0034 0.0141 0.0414
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0083 0.0779 0.1442
Loa Loa (eye worm) hypothetical protein 0.0183 0.2065 0.2648
Trypanosoma brucei aldo/keto reductase, putative 0.0083 0.0779 0.1951
Loa Loa (eye worm) oxidoreductase 0.0288 0.3412 0.4375
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0076 0.0112
Toxoplasma gondii ABC1 family protein 0.0036 0.0163 0.0301
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0049 0.034 0.0436
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0163 0.0477
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Mycobacterium ulcerans malate dehydrogenase 0.0044 0.0268 0.0485
Leishmania major cytosolic malate dehydrogenase 0.0044 0.0268 0.0787
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.0443 0.5404 1
Echinococcus multilocularis aldo keto reductase 0.0288 0.3412 0.3412
Leishmania major prostaglandin f synthase, putative 0.0288 0.3412 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0163 0.0458
Echinococcus multilocularis voltage gated potassium channel subunit 0.0083 0.0779 0.0779
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Schistosoma mansoni fatty acid binding protein 0.0042 0.0242 0.0585
Schistosoma mansoni hypothetical protein 0.0167 0.1857 0.4493
Entamoeba histolytica aldose reductase, putative 0.0288 0.3412 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0163 0.0289
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0083 0.0779 0.1154
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 0.3412 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0163 0.0394
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0083 0.0779 0.1442
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0163 0.0289
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0801 0.2333
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0163 0.0458
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.0268 0.0372
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0344 0.4133 0.4133
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.0923 0.2692
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Mycobacterium tuberculosis Probable reductase 0.0085 0.0801 0.2333
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0154 0.0372
Plasmodium falciparum aldo-keto reductase, putative 0.0083 0.0779 0.1442
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0209
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0443 0.5404 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0334 0.4003 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0083 0.0779 0.1936
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.3412 0.4375
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0163 0.0458
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.0268 0.0372
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0918 0.0918
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.3412 0.4375
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0163 0.0163
Onchocerca volvulus 0.0288 0.3412 0.8524
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.0141 0.0209
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0192 0.0285
Toxoplasma gondii aldose reductase, putative 0.0288 0.3412 0.6314
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0083 0.0779 0.2284
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0163 0.0048
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0163 0.0458
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 0.3412 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0007 0.0008
Mycobacterium tuberculosis Conserved protein 0.0083 0.0779 0.2269
Echinococcus granulosus voltage gated potassium channel subunit 0.0083 0.0779 0.1154
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0801 0.1472
Onchocerca volvulus 0.0288 0.3412 0.8524
Leishmania major hypothetical protein, conserved 0.0036 0.0163 0.0477
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0007 0.0019
Loa Loa (eye worm) hypothetical protein 0.0288 0.3412 0.4375
Brugia malayi Matrixin family protein 0.0151 0.1643 0.2107
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0163 0.0209
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0007 0.0008
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0547 0.675 1
Echinococcus multilocularis fatty acid binding protein FABP2 0.0042 0.0242 0.0242
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0076 0.0183
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Plasmodium vivax glutathione reductase, putative 0.0037 0.0186 0.0344
Giardia lamblia Aldose reductase 0.0288 0.3412 1
Onchocerca volvulus 0.0036 0.0163 0.0406
Trichomonas vaginalis esterase, putative 0.0036 0.0163 0.0048
Echinococcus multilocularis aldo keto reductase 0.0288 0.3412 0.3412
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 0.3412 1
Giardia lamblia Aldose reductase 0.0288 0.3412 1
Echinococcus granulosus hypothetical protein 0.0288 0.3412 0.5055
Mycobacterium ulcerans oxidoreductase 0.0288 0.3412 0.6309
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0141 0.0414
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0163 0.0289
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0083 0.0779 0.0999
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Schistosoma mansoni aldo-keto reductase 0.0288 0.3412 0.8257
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0163 0.0048
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0163 0.0048
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0083 0.0779 0.0999
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0344 0.4133 0.5298
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0209
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Brugia malayi Matrixin family protein 0.0151 0.1643 0.2107
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0801 0.2333
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0443 0.5404 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0083 0.0779 0.1936
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0344 0.4133 1
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0443 0.5404 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0044 0.0268 0.0398
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0141 0.0261
Echinococcus granulosus fatty acid binding protein FABP2 0.0042 0.0242 0.0358
Trypanosoma brucei cytosolic malate dehydrogenase 0.0044 0.0268 0.0389
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0044 0.0268 0.0268
Onchocerca volvulus 0.0288 0.3412 0.8524
Mycobacterium tuberculosis Conserved protein 0.0036 0.0163 0.0458
Brugia malayi NADH-dependent xylose reductase 0.0083 0.0779 0.0999
Loa Loa (eye worm) beta-lactamase 0.0036 0.0163 0.0209
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0163 0.0301
Onchocerca volvulus 0.0083 0.0779 0.1947
Schistosoma mansoni hypothetical protein 0.0029 0.0076 0.0183
Mycobacterium tuberculosis Conserved protein 0.0036 0.0163 0.0458
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Echinococcus granulosus aldo keto reductase 0.0288 0.3412 0.5055
Echinococcus multilocularis fatty acid binding protein FABP2 0.0042 0.0242 0.0242
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0007 0.0019
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2626 0.7691
Trypanosoma brucei trypanothione reductase 0.0037 0.0186 0.0137
Loa Loa (eye worm) hypothetical protein 0.0151 0.1643 0.2107
Brugia malayi PHD-finger family protein 0.0029 0.0076 0.0097
Loa Loa (eye worm) glutathione reductase 0.0037 0.0186 0.0238
Loa Loa (eye worm) oxidoreductase 0.0288 0.3412 0.4375
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0186 0.0526
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Schistosoma mansoni hypothetical protein 0.0167 0.1857 0.4493
Mycobacterium leprae PROBABLE HYDROLASE 0.0183 0.2065 0.3814
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0163 0.0289
Echinococcus granulosus peregrin 0.0029 0.0076 0.0112
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0076 0.014
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0186 0.0238
Loa Loa (eye worm) oxidoreductase 0.0288 0.3412 0.4375
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0044 0.0268 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0779 0.1936
Trypanosoma brucei RNA helicase, putative 0.0104 0.1039 0.2744
Mycobacterium ulcerans hypothetical protein 0.0036 0.0163 0.0289
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.0923 0.1698
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0044 0.0268 0.0344
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0076 0.0097
Plasmodium falciparum glutathione reductase 0.0037 0.0186 0.0344
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0044 0.0268 0.0787
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0801 0.2333
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0183 0.2065 0.6045
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.0141 0.0181
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0288 0.3412 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0076 0.014
Trypanosoma brucei prostaglandin f synthase 0.0288 0.3412 1
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0186 0.0344
Onchocerca volvulus 0.0288 0.3412 0.8524
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0154 0.0154
Loa Loa (eye worm) oxidoreductase 0.0288 0.3412 0.4375
Loa Loa (eye worm) hypothetical protein 0.0023 0.0007 0.0008
Echinococcus granulosus aldo keto reductase 0.0288 0.3412 0.5055
Brugia malayi Augmenter of liver regeneration 0.0034 0.0141 0.0181
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.0141 0.0141
Echinococcus multilocularis geminin 0.0167 0.1857 0.1857
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0141 0.0261
Onchocerca volvulus Matrilysin homolog 0.0334 0.4003 1
Schistosoma mansoni hypothetical protein 0.0214 0.2453 0.5935
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.0923 0.2692
Loa Loa (eye worm) matrixin family protein 0.0364 0.439 0.5629
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Leishmania major trypanothione reductase 0.0037 0.0186 0.0545
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0163 0.0477
Trichomonas vaginalis aldo-keto reductase, putative 0.0083 0.0779 0.1936
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0209
Schistosoma mansoni malate dehydrogenase 0.0044 0.0268 0.0649
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0076 0.0076
Plasmodium falciparum thioredoxin reductase 0.0037 0.0186 0.0344
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Brugia malayi beta-lactamase 0.0036 0.0163 0.0209
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0344 0.4133 0.6122
Onchocerca volvulus Alhambra homolog 0.0029 0.0076 0.0189
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Entamoeba histolytica aldose reductase, putative 0.0288 0.3412 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0044 0.0268 0.0769
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0801 0.2333
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Echinococcus granulosus jumonji domain containing protein 0.004 0.0221 0.0327
Schistosoma mansoni pol-related 0.0288 0.3412 0.8257
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0629 0.78 1
Entamoeba histolytica malate dehydrogenase, putative 0.0044 0.0268 0.0769
Mycobacterium tuberculosis Probable oxidoreductase 0.0288 0.3412 1
Entamoeba histolytica aldose reductase, putative 0.0288 0.3412 1
Plasmodium falciparum aldehyde reductase, putative 0.0083 0.0779 0.1442
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.3412 1
Brugia malayi Matrixin family protein 0.0151 0.1643 0.2107
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0154 0.0197
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Mycobacterium ulcerans hydrolase 0.0183 0.2065 0.3814
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0163 0.0458
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0163 0.0048
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0151 0.1643 0.3976
Onchocerca volvulus 0.0288 0.3412 0.8524
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.0268 0.0372
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.0923 0.2692
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Schistosoma mansoni fatty acid binding protein 0.0042 0.0242 0.0585
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0007 0.0019
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.0268 0.0372
Echinococcus multilocularis peregrin 0.0029 0.0076 0.0076
Brugia malayi jmjC domain containing protein 0.0035 0.0154 0.0197
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0044 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0209
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0801 0.2333
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0443 0.5404 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.3412 0.4375
Trichomonas vaginalis aldo-keto reductase, putative 0.0083 0.0779 0.1936
Entamoeba histolytica alcohol dehydrogenase, putative 0.0083 0.0779 0.2269
Echinococcus granulosus cytosolic malate dehydrogenase 0.0044 0.0268 0.0398
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0076 0.014
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0209
Loa Loa (eye worm) hypothetical protein 0.0036 0.0163 0.0209
Echinococcus granulosus aldo keto reductase 0.0288 0.3412 0.5055
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0443 0.5404 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.3412 0.3412
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.3412 0.4375
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 0.3412 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.3412 0.5055
Toxoplasma gondii thioredoxin reductase 0.0037 0.0186 0.0344
Onchocerca volvulus 0.0036 0.0163 0.0406
Brugia malayi glutathione reductase 0.0037 0.0186 0.0238

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.43 uM Inhibition of human A-FABP by fluorescence polarization assay ChEMBL. 19217286
IC50 (binding) = 0.58 uM Inhibition of human A-FABP by scintillation proximity assay ChEMBL. 19217286

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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