Detailed information for compound 63470

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.481 | Formula: C20H25NO6S
  • H donors: 2 H acceptors: 4 LogP: 2.6 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CC(S(=O)(=O)c1ccc(c(c1)OC)OC)CCCc1ccccc1
  • InChi: 1S/C20H25NO6S/c1-26-18-12-11-17(13-19(18)27-2)28(24,25)16(14-20(22)21-23)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13,16,23H,6,9-10,14H2,1-2H3,(H,21,22)
  • InChiKey: YFSKDXWVNPXSTG-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 matrix metallopeptidase 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4B, cAMP-specific References
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 3 (stromelysin 1, progelatinase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4C, cAMP-specific References
Homo sapiens phosphodiesterase 4A, cAMP-specific References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 3 (stromelysin 1, progelatinase) 477 aa 431 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) serotonin transporter b 0.0147 0.0426 0.265
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0054 0.0073 0.0821
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0041 0.0041
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0266 0.0266
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.031 0.031
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Leishmania major hypothetical protein, conserved 0.0054 0.0073 0.1451
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0266 0.0266
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0392 0.1365 0.8667
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0054 0.0073 0.0821
Brugia malayi Pre-SET motif family protein 0.0202 0.0638 0.4622
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0041 0.0671
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0091 0.0498
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.0073 0.1451
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0054 0.0073 0.0385
Brugia malayi thymidylate synthase 0.0104 0.0264 0.1858
Loa Loa (eye worm) hypothetical protein 0.0147 0.0426 0.265
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0028 0.0095
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0073 0.0821
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0073 0.0821
Loa Loa (eye worm) PDE1B protein 0.0054 0.0073 0.0385
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0091 0.0498
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0054 0.0073 0.1451
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0073 0.1451
Schistosoma mansoni sodium/chloride dependent transporter 0.0147 0.0426 0.265
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.031 0.031
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Onchocerca volvulus Matrix metalloproteinase homolog 0.0163 0.049 0.6522
Mycobacterium leprae PROBABLE HYDROLASE 0.009 0.0208 0.0208
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Leishmania major cAMP-specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0055 0.1015
Plasmodium falciparum glutathione reductase 0.0046 0.0041 0.0671
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0091 0.0498
Trypanosoma brucei trypanothione reductase 0.0046 0.0041 0.0671
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.009 0.0208 0.0208
Brugia malayi Matrixin family protein 0.0074 0.0147 0.0991
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0091 0.1876
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0054 0.0073 0.0385
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Onchocerca volvulus 0.0074 0.0147 0.1832
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0147 0.0427 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0147 0.0427 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0028 0.0095
Brugia malayi Thioredoxin reductase 0.0046 0.0041 0.0205
Loa Loa (eye worm) matrixin family protein 0.0163 0.049 0.3059
Chlamydia trachomatis dihydrofolate reductase 0.0043 0.0028 0.0165
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0392 0.1365 1
Plasmodium vivax phosphodiesterase gamma, putative 0.0054 0.0073 0.1451
Giardia lamblia Hypothetical protein 0.0054 0.0073 0.0385
Onchocerca volvulus 0.0147 0.0426 0.5649
Onchocerca volvulus 0.0104 0.0264 0.3432
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0054 0.0073 0.0385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0104 0.0264 0.0264
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0054 0.0073 0.0821
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.0073 0.0444
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.072 0.2621 0.2621
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0147 0.0427 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0041 0.0178
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.072 0.2621 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0147 0.0426 0.265
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0147 0.0426 0.265
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0054 0.0073 0.0385
Schistosoma mansoni hypothetical protein 0.0104 0.0265 0.1614
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0091 0.0091
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0054 0.0073 0.1451
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0054 0.0073 0.0385
Leishmania major hypothetical protein, conserved 0.0054 0.0073 0.1451
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0073 0.1451
Loa Loa (eye worm) hypothetical protein 0.0054 0.0073 0.0385
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0054 0.0073 0.0444
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0043 0.0028 0.0028
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0028 0.0095
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0147 0.0427 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0041 0.0671
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.0427 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0091 0.0498
Plasmodium falciparum thioredoxin reductase 0.0046 0.0041 0.0671
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0054 0.0073 0.1451
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0054 0.0073 0.0444
Brugia malayi hypothetical protein 0.005 0.0055 0.0311
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0447 0.1573 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) hypothetical protein 0.0054 0.0073 0.0385
Brugia malayi Hemopexin family protein 0.0104 0.0265 0.1862
Brugia malayi Dihydrofolate reductase 0.0043 0.0028 0.011
Onchocerca volvulus Matrilysin homolog 0.0163 0.049 0.6522
Toxoplasma gondii thioredoxin reductase 0.0046 0.0041 0.0178
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0054 0.0073 0.1451
Mycobacterium ulcerans hydrolase 0.009 0.0208 0.0208
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0039 0.0013 0.0013
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0104 0.0264 0.161
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.265 1 1
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0055 0.0574
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0091 0.0498
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0054 0.0073 0.0385
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0147 0.0426 0.3057
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0054 0.0073 0.0385
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.009 0.0208 0.1445
Trichomonas vaginalis set domain proteins, putative 0.023 0.0745 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0054 0.0073 0.1451
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0073 0.1451
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0266 0.0266
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0054 0.0073 0.0385
Echinococcus granulosus serotonin transporter 0.0147 0.0426 0.265
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.031 0.031
Plasmodium falciparum phosphodiesterase delta, putative 0.0054 0.0073 0.1451
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0122 0.0331 0.0331
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0392 0.1365 0.8667
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.072 0.2621 0.2621
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0447 0.1573 1
Brugia malayi Matrixin family protein 0.0074 0.0147 0.0991
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0054 0.0073 0.0385
Onchocerca volvulus 0.0104 0.0265 0.3441
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0147 0.0426 0.265
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0268 0.089 0.5621
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Giardia lamblia hypothetical protein 0.0054 0.0073 0.0385
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0054 0.0073 0.1451
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Loa Loa (eye worm) hypothetical protein 0.0074 0.0147 0.0859
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0054 0.0073 0.1451
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0054 0.0073 0.0444
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0447 0.1573 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) matrix metalloproteinase 0.0074 0.0147 0.0859
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0054 0.0073 0.0385
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0054 0.0073 0.0385
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0392 0.1365 0.8667
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Onchocerca volvulus 0.023 0.0745 1
Echinococcus granulosus thymidylate synthase 0.0104 0.0264 0.161
Brugia malayi Matrixin family protein 0.0074 0.0147 0.0991
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0166 0.0501 0.5427
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0043 0.0028 0.0028
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0041 0.0178
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0274 0.0913 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0054 0.0073 0.0385
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0054 0.0073 0.0385
Mycobacterium tuberculosis Probable reductase 0.0105 0.0266 0.0266
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0054 0.0073 0.0385
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.0073 0.0444
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0091 0.0091
Loa Loa (eye worm) glutathione reductase 0.0046 0.0041 0.0178
Onchocerca volvulus Matrilysin homolog 0.0074 0.0147 0.1832
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0447 0.1573 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0054 0.0073 0.1451
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Brugia malayi glutathione reductase 0.0046 0.0041 0.0205
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0447 0.1573 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0266 0.0266
Mycobacterium ulcerans thymidylate synthase 0.0104 0.0264 0.0264
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0104 0.0264 0.0264
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.265 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0147 0.0859
Brugia malayi Matrixin family protein 0.0074 0.0147 0.0991
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0073 0.0821
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0043 0.0028 0.0028
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.072 0.2621 0.2621
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0054 0.0073 0.0385
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0166 0.0501 0.1872
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0054 0.0073 0.0385
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0041 0.0178
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0268 0.089 0.5621
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Echinococcus multilocularis thymidylate synthase 0.0104 0.0264 0.161
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0166 0.0501 0.0501
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0122 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0447 0.1573 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0074 0.0147 0.0859
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.005 0.0056 0.0278
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.0427 0.2653
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.1451
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0447 0.1573 1
Loa Loa (eye worm) matrixin family protein 0.0178 0.0547 0.3421
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0091 0.0091
Plasmodium falciparum phosphodiesterase gamma, putative 0.0054 0.0073 0.1451
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.0073 0.0444
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0274 0.0913 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0147 0.0426 0.265
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0638 0.4006
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0091 0.0091
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0039 0.0013 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) hypothetical protein 0.009 0.0208 0.1253
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0054 0.0073 0.0385
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0073 0.1451
Loa Loa (eye worm) hypothetical protein 0.0074 0.0147 0.0859
Leishmania major trypanothione reductase 0.0046 0.0041 0.0671
Treponema pallidum sodium- and chloride- dependent transporter 0.0147 0.0426 0.4594
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0166 0.0501 0.5427
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0073 0.1451
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0073 0.0821
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0028 0.0095
Plasmodium vivax glutathione reductase, putative 0.0046 0.0041 0.0671
Brugia malayi Matrixin family protein 0.0178 0.0547 0.3947
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) norepinephrine transporter 0.0147 0.0426 0.265
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0266 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0073 0.1451
Echinococcus multilocularis serotonin transporter 0.0147 0.0426 0.265
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0073 0.0821
Loa Loa (eye worm) thymidylate synthase 0.0104 0.0264 0.161
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0073 0.1451
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0028 0.011
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0054 0.0073 0.0385
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0054 0.0073 0.1451
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0054 0.0073 0.0385
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0447 0.1573 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibitory activity against TACE ChEMBL. 10937713
Activity (binding) NA 0 Inhibitory activity against TACE ChEMBL. 10937713
IC50 (functional) = 9 nM In vitro for the inhibition of TNF alpha release by human peripheral blood monocytes (PBMs) ChEMBL. 10937713
IC50 (binding) = 14 nM Phosphodiesterase 4 inhibitory activity measured against guinea pig macrophage homogenate ChEMBL. 10937713
IC50 (binding) = 14 nM Phosphodiesterase 4 inhibitory activity measured against guinea pig macrophage homogenate ChEMBL. 10937713
IC50 (binding) > 10000 nM Inhibitory activity against recombinant matrix metalloproteinase-1 ChEMBL. 10937713
IC50 (binding) > 10000 nM Inhibitory activity against recombinant matrix metalloproteinase-2 ChEMBL. 10937713
IC50 (binding) > 10000 nM Inhibitory activity against recombinant matrix metalloproteinase-3 ChEMBL. 10937713
IC50 (binding) > 10000 nM Inhibitory activity against recombinant matrix metalloproteinase-1 ChEMBL. 10937713
IC50 (binding) > 10000 nM Inhibitory activity against recombinant matrix metalloproteinase-2 ChEMBL. 10937713
IC50 (binding) > 10000 nM Inhibitory activity against recombinant matrix metalloproteinase-3 ChEMBL. 10937713

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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