Detailed information for compound 506875

Basic information

Technical information
  • TDR Targets ID: 506875
  • Name: (2R)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methy lsulfonylanilino]-2-morpholin-4-ylpropanamide
  • MW: 449.521 | Formula: C21H27N3O6S
  • H donors: 2 H acceptors: 4 LogP: 1.52 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@H](N1CCOCC1)CN(S(=O)(=O)C)c1ccc(cc1)Oc1ccc(cc1)C
  • InChi: 1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m1/s1
  • InChiKey: VJUDEGHVGRIZAQ-HXUWFJFHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-3-[4-(4-methylphenoxy)-N-methylsulfonyl-anilino]-2-morpholino-propanehydroxamic acid
  • (2R)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholinopropanehydroxamic acid
  • (2R)-N-hydroxy-3-[[4-(4-methylphenoxy)phenyl]-methylsulfonyl-amino]-2-morpholin-4-yl-propanamide
  • (2R)-3-[N-mesyl-4-(4-methylphenoxy)anilino]-2-morpholino-propanehydroxamic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) 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
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0321 0.0321
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0261 0.0682
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0047 0.0429 0.0429
Brugia malayi Pre-SET motif family protein 0.009 0.0969 0.1268
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0261 0.0394
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0242 0.2843 1
Brugia malayi Fli-1 protein 0.0218 0.2549 0.3337
Loa Loa (eye worm) hypothetical protein 0.0083 0.0881 0.1154
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0172 0.137
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0597 0.1302
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0261 0.1576
Echinococcus granulosus beta-adrenergic receptor kinase 0.0047 0.0429 0.0429
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0741 0.0969
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0597 0.0597
Echinococcus multilocularis regulator of G protein signaling 3 0.0047 0.0429 0.0429
Echinococcus granulosus regulator of G protein signaling 3 0.0047 0.0429 0.0429
Schistosoma mansoni z-protein (S1r protein) 0.0047 0.0429 0.0649
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0172 0.0225
Schistosoma mansoni regulator of G protein signaling 0.0048 0.0441 0.0667
Schistosoma mansoni hypothetical protein 0.0029 0.021 0.0317
Brugia malayi regulator of G-protein signaling egl-10 0.0047 0.0429 0.0562
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0172 0.0172
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0261 0.0161
Schistosoma mansoni hypothetical protein 0.0339 0.4044 0.6114
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0047 0.0429 0.0562
Brugia malayi Heterochromatin protein 1 0.0069 0.0707 0.0925
Schistosoma mansoni axis inhibition protein axin 0.0047 0.0429 0.0649
Loa Loa (eye worm) hypothetical protein 0.0068 0.0697 0.0913
Onchocerca volvulus 0.005 0.0464 0.0298
Brugia malayi Matrixin family protein 0.0165 0.1895 0.2481
Echinococcus multilocularis peregrin 0.0029 0.021 0.021
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0083 0.0881 0.2403
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0429 0.0357
Brugia malayi glutaminase DH11.1 0.0548 0.6615 0.8659
Loa Loa (eye worm) RecQ helicase 0.0022 0.0123 0.016
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0249 0.2925 0.2925
Echinococcus granulosus peregrin 0.0029 0.021 0.021
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0218 0.2543 0.8469
Loa Loa (eye worm) hypothetical protein 0.0039 0.0331 0.0434
Trypanosoma brucei trypanothione reductase 0.0096 0.1032 1
Brugia malayi Bromodomain containing protein 0.0029 0.021 0.0275
Echinococcus multilocularis regulator of G protein signaling 0.0047 0.0429 0.0429
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0172 0.0959
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0087 0.0928 0.0928
Echinococcus multilocularis axis inhibition protein axin 0.0047 0.0429 0.0429
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0429 0.0649
Toxoplasma gondii phenylalanine-4-hydroxylase 0.0132 0.148 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.021 0.1223
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.1032 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0261 0.1038
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0047 0.0429 0.0562
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0969 0.1465
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0218 0.2543 0.8837
Schistosoma mansoni eyes absent homolog 0.0088 0.0933 0.1411
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0662 0.0867
Echinococcus granulosus chromobox protein 1 0.0069 0.0707 0.0707
Toxoplasma gondii aromatic amino acid hydrolase AAH1 0.0132 0.148 1
Brugia malayi Biopterin-dependent aromatic amino acid hydroxylase family protein 0.0474 0.571 0.7474
Brugia malayi SET domain containing protein 0.0015 0.0033 0.0043
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0089
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.001 0.0013
Schistosoma mansoni regulator of G protein signaling 0.0047 0.0429 0.0649
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0662 0.5702
Plasmodium falciparum thioredoxin reductase 0.0096 0.1032 1
Loa Loa (eye worm) glutathione reductase 0.0096 0.1032 0.135
Schistosoma mansoni glutaminase 0.0548 0.6615 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0068 0.0697 0.1054
Loa Loa (eye worm) hypothetical protein 0.0047 0.0429 0.0562
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0261 0.0261
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.1032 0.1032
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0047 0.0429 0.0562
Brugia malayi Matrixin family protein 0.0068 0.0697 0.0913
Loa Loa (eye worm) glutaminase 0.0548 0.6615 0.8659
Schistosoma mansoni chromobox protein 0.0069 0.0707 0.1069
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.285 0.285
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0066 0.0099
Echinococcus multilocularis jumonji domain containing protein 0.004 0.035 0.035
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0152 0.0199
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0662 0.0662
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.1032 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.021 0.0275
Echinococcus granulosus tryptophan hydroxylase 0.0132 0.148 0.148
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0261 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0429 0.0357
Loa Loa (eye worm) hypothetical protein 0.0068 0.0697 0.0913
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0083 0.0881 0.1154
Leishmania major trypanothione reductase 0.0096 0.1032 0.6575
Trichomonas vaginalis glutaminase, putative 0.0548 0.6615 0.7556
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0662 0.0867
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0429 0.0649
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0261 0.2266
Schistosoma mansoni chromobox protein 0.0069 0.0707 0.1069
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0597 0.0529
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0429 0.0357
Loa Loa (eye worm) hypothetical protein 0.003 0.0228 0.0298
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0261 0.1038
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0261 0.1816
Schistosoma mansoni regulator of G protein signaling 0.0047 0.0429 0.0649
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.021 0.021
Echinococcus granulosus histone lysine methyltransferase setb 0.009 0.0969 0.0969
Echinococcus multilocularis chromobox protein 1 0.0069 0.0707 0.0707
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0261 0.0341
Onchocerca volvulus 0.0068 0.0697 0.0573
Mycobacterium ulcerans glutaminase 0.0548 0.6615 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0285 0.0373
Echinococcus granulosus chromobox protein 1 0.0069 0.0707 0.0707
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0331 0.0243
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0662 0.1001
Brugia malayi Matrixin family protein 0.0068 0.0697 0.0913
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.1032 0.1032
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0597 0.3252
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0662 0.0662
Loa Loa (eye worm) raf kinase 0.0043 0.0381 0.0499
Schistosoma mansoni flap endonuclease-1 0.0023 0.0141 0.0213
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0285 0.0285
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0152 0.0199
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.009 0.0969 0.1268
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.285 0.285
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0261 0.5
Mycobacterium ulcerans hydrolase 0.0083 0.0881 0.0977
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.021 0.021
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0707 0.0925
Brugia malayi PHD-finger family protein 0.0029 0.021 0.0275
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0242 0.2843 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0242 0.2843 1
Echinococcus granulosus geminin 0.0339 0.4044 0.4044
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0597 0.0529
Echinococcus granulosus Regulator of G protein signaling 20 0.0047 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0132 0.148 0.1937
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0969 0.1465
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0464 0.0607
Trichomonas vaginalis set domain proteins, putative 0.0718 0.8715 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0047 0.0429 0.0649
Mycobacterium tuberculosis Probable reductase 0.0218 0.2543 0.8837
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0597 0.0903
Giardia lamblia PHD finger protein 15 0.0029 0.021 0.4278
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0261 0.0161
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0368 0.0186
Entamoeba histolytica hypothetical protein 0.0047 0.0429 0.5249
Echinococcus multilocularis raf serine:threonine protein kinase 0.0043 0.0381 0.0381
Loa Loa (eye worm) matrixin family protein 0.0165 0.1895 0.2481
Loa Loa (eye worm) hypothetical protein 0.0088 0.0933 0.1222
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0662 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0047 0.0429 0.0429
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0047 0.0429 0.0649
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0242 0.2843 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0249 0.2925 0.2925
Plasmodium falciparum glutathione reductase 0.0096 0.1032 1
Brugia malayi Thioredoxin reductase 0.0096 0.1032 0.135
Plasmodium vivax SET domain protein, putative 0.009 0.0969 0.9371
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.009 0.0969 0.0969
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0285 0.0431
Brugia malayi PXA domain containing protein 0.0047 0.0429 0.0562
Schistosoma mansoni ets-related 0.0218 0.2549 0.3854
Entamoeba histolytica hypothetical protein 0.0047 0.0429 0.5249
Schistosoma mansoni axis inhibition protein axin 0.0047 0.0429 0.0649
Onchocerca volvulus 0.0718 0.8715 1
Loa Loa (eye worm) PXA domain-containing protein 0.0047 0.0429 0.0562
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0102 0.1109 0.1676
Schistosoma mansoni hypothetical protein 0.005 0.0464 0.0701
Loa Loa (eye worm) glutaminase 2 0.0548 0.6615 0.8659
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0741 0.0741
Toxoplasma gondii aromatic amino acid hydrolase AAH2 0.0132 0.148 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0285 0.0431
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0429 0.0357
Echinococcus multilocularis beta adrenergic receptor kinase 0.0047 0.0429 0.0429
Brugia malayi jmjC domain containing protein 0.0095 0.1024 0.134
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0707 0.068
Mycobacterium tuberculosis Probable dehydrogenase 0.0218 0.2543 0.8837
Onchocerca volvulus 0.0102 0.1109 0.1057
Echinococcus multilocularis regulator of G protein signaling 7 0.0047 0.0429 0.0429
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0429 0.0357
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0368 0.0285
Loa Loa (eye worm) hypothetical protein 0.0068 0.0697 0.0913
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0597 0.0529
Loa Loa (eye worm) hypothetical protein 0.0047 0.0429 0.0562
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.009 0.0969 0.0969
Schistosoma mansoni survival motor neuron protein 0.005 0.0464 0.0701
Brugia malayi Ets-domain containing protein 0.0072 0.0741 0.0969
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.0682
Loa Loa (eye worm) hypothetical protein 0.0047 0.0429 0.0562
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.1038
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0331 0.0243
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.1038
Brugia malayi glutathione reductase 0.0096 0.1032 0.135
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0261 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0662 0.5702
Loa Loa (eye worm) matrixin family protein 0.0152 0.1726 0.226
Plasmodium falciparum flap endonuclease 1 0.0026 0.0172 0.0869
Brugia malayi Regulator of G protein signaling domain containing protein 0.0047 0.0429 0.0562
Schistosoma mansoni tyrosine 3-monooxygenase 0.0474 0.571 0.8632
Echinococcus granulosus regulator of G protein signaling 3 0.0047 0.0429 0.0429
Brugia malayi Raf kinase 0.0043 0.0381 0.0499
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.1038
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0261 0.1038
Schistosoma mansoni gabp alpha 0.0072 0.0741 0.112
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0261 0.1038
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1024 0.1024
Schistosoma mansoni hypothetical protein 0.0339 0.4044 0.6114
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0969 0.1465
Schistosoma mansoni regulator of G protein signaling 0.0047 0.0429 0.0649
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.1032 0.2985
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0218 0.2543 0.8837
Loa Loa (eye worm) fli-1 protein 0.0218 0.2549 0.3337
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1024 0.1024
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0261 0.1038
Brugia malayi Ets-domain containing protein 0.0072 0.0741 0.0969
Treponema pallidum NADH oxidase 0.0033 0.0261 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0465 0.0609
Echinococcus multilocularis axis inhibition protein axin 0.0047 0.0429 0.0429
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.021 0.0317
Schistosoma mansoni tyrosine/tryptophan monooxygenase 0.0132 0.148 0.2237
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0047 0.0429 0.0649
Echinococcus granulosus axis inhibition protein axin 0.0047 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0047 0.0429 0.0562
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0261 0.1038
Echinococcus granulosus regulator of G protein signaling 7 0.0047 0.0429 0.0429
Plasmodium vivax glutathione reductase, putative 0.0096 0.1032 1
Brugia malayi Pre-SET motif family protein 0.063 0.7639 1
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.1032 0.135
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0597 0.3899
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0381 0.0576
Plasmodium vivax hypothetical protein, conserved 0.0029 0.021 0.1754
Onchocerca volvulus 0.003 0.0228 0.0021
Echinococcus granulosus bloom syndrome protein 0.0022 0.0123 0.0123
Brugia malayi Flap endonuclease-1 0.0026 0.0172 0.0225
Echinococcus multilocularis tryptophan hydroxylase 0.0132 0.148 0.148
Echinococcus granulosus axis inhibition protein axin 0.0047 0.0429 0.0429
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0047 0.0429 0.0429
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0047 0.0429 0.0562
Brugia malayi hypothetical protein 0.0047 0.0429 0.0562
Plasmodium falciparum glutathione reductase 0.0033 0.0261 0.1816
Loa Loa (eye worm) hypothetical protein 0.0243 0.285 0.3731
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0321 0.0321
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0783 0.1183
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.001 0.0015
Loa Loa (eye worm) tryptophan hydroxylase 1 0.0474 0.571 0.7474
Brugia malayi Regulator of G protein signaling domain containing protein 0.0047 0.0429 0.0562
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.1038
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0218 0.2543 0.8837
Echinococcus multilocularis regulator of G protein signaling 3 0.0047 0.0429 0.0429
Plasmodium falciparum phd finger protein, putative 0.0029 0.021 0.1274
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0047 0.0429 0.0562
Echinococcus multilocularis geminin 0.0339 0.4044 0.4044
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0261 0.2266
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0261 0.0682
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0429 0.0357
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0047 0.0429 0.0357
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0261 0.0261
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0191 0.008
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0662 0.3749
Loa Loa (eye worm) hypothetical protein 0.0088 0.0933 0.1222
Echinococcus multilocularis Regulator of G protein signaling 20 0.0047 0.0429 0.0429
Echinococcus multilocularis chromobox protein 1 0.0069 0.0707 0.0707
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.1038
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0662 0.5702
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0191 0.008
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0261 0.1576
Loa Loa (eye worm) hypothetical protein 0.0029 0.021 0.0275
Brugia malayi jmjC domain containing protein 0.0035 0.0285 0.0373
Loa Loa (eye worm) RGS-3 protein 0.0047 0.0429 0.0562
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0261 0.5
Echinococcus granulosus raf serine:threonine protein kinase 0.0043 0.0381 0.0381
Brugia malayi A-kinase anchor protein 10, precursor 0.0047 0.0429 0.0562
Brugia malayi hypothetical protein 0.0088 0.0933 0.1222
Brugia malayi hypothetical protein 0.0243 0.285 0.3731
Brugia malayi Hemopexin family protein 0.0097 0.105 0.1375
Echinococcus multilocularis expressed protein 0.0822 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.021 0.1223
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0597 0.0903
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0172 0.0057
Schistosoma mansoni regulator of G protein signaling 0.0047 0.0429 0.0649
Onchocerca volvulus Matrix metalloproteinase homolog 0.0152 0.1726 0.1783
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.063 0.7639 1
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0741 0.0741
Brugia malayi PXA domain containing protein 0.0047 0.0429 0.0562
Leishmania major phenylalanine-4-hydroxylase,phenylalanine-4-hydroxylase, putative 0.0132 0.148 1
Echinococcus granulosus flap endonuclease 1 0.0026 0.0172 0.0172
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0368 0.0285
Brugia malayi Matrixin family protein 0.0068 0.0697 0.0913
Loa Loa (eye worm) hypothetical protein 0.0047 0.0429 0.0562
Toxoplasma gondii thioredoxin reductase 0.0096 0.1032 0.6903
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.1038
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0591 0.0773
Entamoeba histolytica hypothetical protein 0.0047 0.0429 0.5249
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0597 0.0597
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0123 0.016
Brugia malayi Matrixin family protein 0.0068 0.0697 0.0913
Brugia malayi chromobox protein homolog 3 0.0039 0.0331 0.0434
Schistosoma mansoni hypothetical protein 0.0097 0.105 0.1588
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0429 0.0649
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0261 0.1816
Onchocerca volvulus Matrilysin homolog 0.0068 0.0697 0.0573
Loa Loa (eye worm) hypothetical protein 0.0062 0.0612 0.0801
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0707 0.068
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0261 0.1038
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.01 0.1087 0.1644
Echinococcus granulosus jumonji domain containing protein 0.004 0.035 0.035
Brugia malayi hypothetical protein 0.0047 0.0429 0.0562
Onchocerca volvulus 0.0097 0.105 0.0988
Brugia malayi regulator of G-protein signaling rgs-7 0.0047 0.0429 0.0562
Plasmodium falciparum thioredoxin reductase 0.0033 0.0261 0.1816
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0218 0.2543 0.8837
Echinococcus granulosus regulator of G protein signaling 7 0.0047 0.0429 0.0429
Loa Loa (eye worm) matrix metalloproteinase 0.0068 0.0697 0.0913
Onchocerca volvulus Matrilysin homolog 0.0152 0.1726 0.1783
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0331 0.0143
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.009 0.0969 0.647
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0261 0.0682

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 295 nM Inhibition of MMP9 (unknown origin) ChEMBL. 18083558
IC50 (binding) = 295 nM Inhibition of MMP9 (unknown origin) ChEMBL. 18083558
IC50 (binding) = 1318 nM Inhibition of MMP2 (unknown origin) ChEMBL. 18083558
IC50 (binding) = 1318 nM Inhibition of MMP2 (unknown origin) ChEMBL. 18083558
Ratio IC50 (binding) = 4.5 Selectivity for MMP9 (unknown origin) over MMP2 (unknown origin) ChEMBL. 18083558

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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