Detailed information for compound 657610

Basic information

Technical information
  • TDR Targets ID: 657610
  • Name: ethyl 2-amino-4-(2-methylphenyl)-5-oxo-7-phen yl-4,6,7,8-tetrahydrochromene-3-carboxylate
  • MW: 403.47 | Formula: C25H25NO4
  • H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(N)OC2=C(C1c1ccccc1C)C(=O)CC(C2)c1ccccc1
  • InChi: 1S/C25H25NO4/c1-3-29-25(28)23-21(18-12-8-7-9-15(18)2)22-19(27)13-17(14-20(22)30-24(23)26)16-10-5-4-6-11-16/h4-12,17,21H,3,13-14,26H2,1-2H3
  • InChiKey: QVCGRBDMSATYLE-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-amino-4-(2-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester
  • 2-amino-5-keto-4-(2-methylphenyl)-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester
  • AN-919/15232459
  • ChemDiv1_007307
  • EU-0074861

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
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0097 0.1389 0.3898
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0199 0.3564 1
Schistosoma mansoni single-minded 0.0148 0.2486 0.4021
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0042 0.02 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0042 0.02 0.0562
Schistosoma mansoni jun-related protein 0.0317 0.6119 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0039 0.0125 0.035
Echinococcus granulosus thymidylate synthase 0.0069 0.0783 0.0967
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0391 0.7692 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0042 0.02 0.253
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0042 0.02 0.0562
Onchocerca volvulus 0.0069 0.0783 0.1265
Plasmodium falciparum GAF domain-related protein, putative 0.0063 0.0655 0.4015
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0205 0.3699 0.3697
Onchocerca volvulus 0.0307 0.5889 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0655 0.1838
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0135 0.2204 0.6184
Trypanosoma brucei acetyl-CoA carboxylase 0.011 0.1671 0.4688
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0125 0.035
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0039 0.0125 0.035
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0042 0.02 0.0259
Echinococcus granulosus jun protein 0.0391 0.7692 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0042 0.02 0.0562
Echinococcus multilocularis transfer RNA-Lys 0.011 0.1657 0.211
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0039 0.0125 0.035
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0063 0.0655 0.8365
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0069 0.0783 1
Trichomonas vaginalis guanylate cyclase, putative 0.0039 0.0125 0.035
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0039 0.0125 0.035
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0199 0.3564 1
Plasmodium falciparum hexose transporter 0.0106 0.1568 1
Brugia malayi hypothetical protein 0.0035 0.0043 0.004
Brugia malayi hypothetical protein 0.0307 0.5889 0.5888
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0088 0.118 0.1871
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Schistosoma mansoni glucose transport protein 0.0106 0.1568 0.2509
Chlamydia trachomatis biotin carboxylase 0.0038 0.0117 0.9064
Toxoplasma gondii hypothetical protein 0.0063 0.0655 0.2043
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0097 0.1389 0.8829
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.011 0.1671 0.2128
Echinococcus granulosus aryl hydrocarbon receptor 0.0039 0.0125 0.0107
Schistosoma mansoni aryl hydrocarbon receptor 0.0148 0.2486 0.4021
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0003 0.0008
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0042 0.02 0.0206
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0039 0.0125 0.035
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0097 0.1389 0.3898
Schistosoma mansoni acetyl-CoA carboxylase 0.011 0.1671 0.2679
Brugia malayi hypoxia-induced factor 1 0.0459 0.9171 0.9171
Schistosoma mansoni sodium/chloride dependent transporter 0.0205 0.3699 0.6017
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0039 0.0125 0.035
Brugia malayi Carboxyl transferase domain containing protein 0.0107 0.1588 0.1585
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0039 0.0125 0.0082
Loa Loa (eye worm) solute carrier family 6 member 4 0.0205 0.3699 0.3672
Schistosoma mansoni glucose transport protein 0.0106 0.1568 0.2509
Toxoplasma gondii pyruvate carboxylase 0.0042 0.02 0.0525
Toxoplasma gondii facilitative glucose transporter GT1 0.0106 0.1568 0.5089
Mycobacterium leprae conserved hypothetical protein 0.0063 0.0655 0.8063
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0088 0.118 0.1177
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0039 0.0125 0.0107
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0063 0.0655 0.3123
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Brugia malayi hypothetical protein 0.0167 0.2888 0.2886
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0199 0.3564 0.4602
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.011 0.1671 0.2128
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Brugia malayi thymidylate synthase 0.0069 0.0783 0.078
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0125 0.035
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.011 0.1671 0.5433
Schistosoma mansoni hypothetical protein 0.0106 0.1568 0.2509
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0039 0.0125 0.035
Trypanosoma cruzi acetyl-CoA carboxylase 0.0068 0.0766 0.2149
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0039 0.0125 0.0107
Echinococcus granulosus single minded 2 0.011 0.1657 0.211
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.008 0.1014 0.6372
Brugia malayi sulfakinin receptor protein 0.0167 0.2888 0.2886
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0039 0.0125 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Onchocerca volvulus 0.0205 0.3699 0.6254
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0069 0.0783 1
Brugia malayi Cytochrome P450 family protein 0.0042 0.019 0.0187
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0042 0.02 0.0562
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0039 0.0125 0.035
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0063 0.0655 0.8365
Loa Loa (eye worm) hypothetical protein 0.0167 0.2888 0.2858
Loa Loa (eye worm) hypothetical protein 0.0205 0.3699 0.3672
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0039 0.0125 0.035
Onchocerca volvulus 0.0039 0.0125 0.014
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Treponema pallidum sodium- and chloride- dependent transporter 0.0205 0.3699 0.5
Loa Loa (eye worm) sugar transporter 0.0106 0.1568 0.1531
Loa Loa (eye worm) norepinephrine transporter 0.0205 0.3699 0.3672
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0199 0.3564 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0097 0.1389 0.4493
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0088 0.118 0.1486
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0069 0.0783 0.1217
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0088 0.118 0.3311
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.118 0.1142
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0125 0.035
Loa Loa (eye worm) hypothetical protein 0.0039 0.0125 0.0082
Toxoplasma gondii hypothetical protein 0.0174 0.3039 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0097 0.1389 0.8829
Echinococcus granulosus serotonin transporter 0.0205 0.3699 0.478
Echinococcus multilocularis jun protein 0.0391 0.7692 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0135 0.2204 0.6184
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.3039 0.8528
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Leishmania major carboxylase, putative 0.0042 0.02 0.0562
Mycobacterium ulcerans putative regulatory protein 0.0063 0.0655 0.3123
Brugia malayi Sugar transporter family protein 0.0106 0.1568 0.1565
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0106 0.1568 0.1993
Loa Loa (eye worm) hypothetical protein 0.0205 0.3699 0.3672
Trichomonas vaginalis conserved hypothetical protein 0.0199 0.3564 1
Leishmania major protein kinase, putative 0.0039 0.0125 0.035
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0042 0.02 0.1148
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0042 0.02 0.0259
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0199 0.3564 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0199 0.3564 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0039 0.0125 0.0107
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0199 0.3564 0.4602
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0039 0.0125 0.035
Schistosoma mansoni hypothetical protein 0.0317 0.6119 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Loa Loa (eye worm) hypothetical protein 0.038 0.7462 0.7451
Loa Loa (eye worm) hypoxia-induced factor 1 0.0459 0.9171 0.9167
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0035 0.0043 0.004
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0199 0.3564 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0088 0.118 0.3311
Echinococcus multilocularis thymidylate synthase 0.0069 0.0783 0.0967
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.3039 0.8528
Echinococcus multilocularis serotonin transporter 0.0205 0.3699 0.478
Brugia malayi bZIP transcription factor family protein 0.0391 0.7692 0.7692
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0042 0.02 0.253
Leishmania major acetyl-CoA carboxylase, putative 0.011 0.1671 0.4688
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.3039 0.8528
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0097 0.1389 0.3898
Toxoplasma gondii GAF domain-containing protein 0.0063 0.0655 0.2043
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0039 0.0125 0.035
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0042 0.02 0.0562
Mycobacterium ulcerans putative regulatory protein 0.0063 0.0655 0.3123
Mycobacterium ulcerans thymidylate synthase 0.0069 0.0783 0.3998
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0135 0.2204 0.6184
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0042 0.02 0.0206
Loa Loa (eye worm) serotonin transporter b 0.0205 0.3699 0.3672
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.1568 0.4399
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0199 0.3564 1
Brugia malayi PAS domain containing protein 0.0148 0.2486 0.2484
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Schistosoma mansoni pyruvate carboxylase 0.0042 0.02 0.0259
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0199 0.3564 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0199 0.3564 0.5794
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0205 0.3699 0.6017
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.008 0.1014 0.6372
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0035 0.0043 0.004
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0033 0.0003 0.0008
Mycobacterium ulcerans putative regulatory protein 0.011 0.1657 1
Leishmania major protein kinase, putative 0.0039 0.0125 0.035
Plasmodium vivax hexose transporter 0.0106 0.1568 1
Schistosoma mansoni glucose transport protein 0.0106 0.1568 0.2509
Trichomonas vaginalis guanylate cyclase, putative 0.0039 0.0125 0.035
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0391 0.7692 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.019 0.0147
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0088 0.118 0.1486
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0199 0.3564 1
Echinococcus granulosus General substrate transporter 0.0091 0.1248 0.1575
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0039 0.0125 0.035
Onchocerca volvulus 0.011 0.1657 0.2761
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0035 0.0043 0.004
Trichomonas vaginalis adenylate cyclase, putative 0.0039 0.0125 0.035
Loa Loa (eye worm) thymidylate synthase 0.0069 0.0783 0.0743
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0035 0.0043 0.004
Loa Loa (eye worm) hypothetical protein 0.0498 1 1
Echinococcus multilocularis General substrate transporter 0.0091 0.1248 0.1575
Toxoplasma gondii hypothetical protein 0.0063 0.0655 0.2043
Loa Loa (eye worm) hypothetical protein 0.0205 0.3699 0.3672
Brugia malayi bHLH-PAS transcription factor 0.011 0.1657 0.1654
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.011 0.1671 0.5433
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0107 0.1588 0.1551
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1568 0.1993
Loa Loa (eye worm) hypothetical protein 0.0063 0.0655 0.0615
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0655 0.4015
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0088 0.118 0.3311
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0088 0.118 0.1177

Activities

No activities found for this compound.

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

No literature references available for this target.

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