Detailed information for compound 1172829

Basic information

Technical information
  • TDR Targets ID: 1172829
  • Name: (3R,5R)-7-[2-(4-fluorophenyl)-4-morpholin-4-y lsulfonyl-3-phenyl-5-propan-2-ylpyrrol-1-yl]- 3,5-dihydroxyheptanoic acid
  • MW: 588.687 | Formula: C30H37FN2O7S
  • H donors: 3 H acceptors: 6 LogP: 2.9 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H](C[C@H](CC(=O)O)O)CCn1c(c2ccc(cc2)F)c(c(c1C(C)C)S(=O)(=O)N1CCOCC1)c1ccccc1
  • InChi: 1S/C30H37FN2O7S/c1-20(2)28-30(41(38,39)32-14-16-40-17-15-32)27(21-6-4-3-5-7-21)29(22-8-10-23(31)11-9-22)33(28)13-12-24(34)18-25(35)19-26(36)37/h3-11,20,24-25,34-35H,12-19H2,1-2H3,(H,36,37)/t24-,25-/m1/s1
  • InChiKey: XLVZRBHNHHAPDT-JWQCQUIFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-4-morpholinosulfonyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-4-morpholinosulfonyl-3-phenyl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid
  • (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-4-morpholinosulfonyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-enanthic acid
  • (3R,5R)-7-[2-(4-fluorophenyl)-4-morpholin-4-ylsulfonyl-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0857 0.1906
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3803 0.435
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0227 0.1556
Plasmodium vivax importin-beta 2, putative 0.0028 0.0452 0.8591
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0857 0.0692
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0178 0.5
Onchocerca volvulus 0.0155 0.4237 1
Schistosoma mansoni flap endonuclease-1 0.0027 0.0411 0.0431
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0146 0.0098
Leishmania major hypothetical protein, conserved 0.0025 0.0337 0.0162
Schistosoma mansoni DNA polymerase eta 0.0042 0.0857 0.0946
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1106 0.1234
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.0192
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0337 0.0162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1106 0.1234
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0857 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0348 1 1
Echinococcus granulosus snurportin 1 0.0304 0.8692 1
Brugia malayi RNA binding protein 0.0141 0.3803 0.8961
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1057 0.2385
Mycobacterium ulcerans hypothetical protein 0.0183 0.5078 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Schistosoma mansoni ap endonuclease 0.0019 0.0178 0.0161
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0857 0.0692
Leishmania major DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.1363 0.1508
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0291 0.3397
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0452 0.0994
Brugia malayi hypothetical protein 0.0155 0.4237 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0062 0.0027
Brugia malayi hypothetical protein 0.0037 0.0705 0.154
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0497 0.0505
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0857 0.0692
Brugia malayi TAR-binding protein 0.0141 0.3803 0.8961
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1106 0.1234
Plasmodium falciparum flap endonuclease 1 0.003 0.0497 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.1063 0.0901
Entamoeba histolytica hypothetical protein 0.0023 0.0291 0.167
Echinococcus granulosus tar DNA binding protein 0.0141 0.3803 0.435
Loa Loa (eye worm) RNA binding protein 0.0141 0.3803 0.4335
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0227 0.0218
Brugia malayi hypothetical protein 0.0016 0.0076 0.0035
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0337 0.0162
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0178 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.1063 0.0901
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.294 1
Echinococcus granulosus flap endonuclease 1 0.003 0.0497 0.053
Leishmania major importin beta-1 subunit, putative 0.0023 0.0291 0.0116
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0337 0.4991
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 0.5078 1
Echinococcus multilocularis dna polymerase eta 0.0042 0.0857 0.0946
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1106 0.1234
Schistosoma mansoni hypothetical protein 0.0304 0.8692 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.4522 0.4423
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1106 0.1234
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0857 0.1387
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1106 0.1234
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0857 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0857 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0857 0.0922
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.0732
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.1063 0.0901
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1057 0.1154
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0027
Entamoeba histolytica hypothetical protein 0.0037 0.0705 0.7752
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Brugia malayi hypothetical protein 0.0025 0.0337 0.066
Echinococcus multilocularis cpg binding protein 0.0062 0.1464 0.1647
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0857 0.1387
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Toxoplasma gondii hypothetical protein 0.0056 0.1278 0.3983
Plasmodium falciparum importin beta, putative 0.0028 0.0452 0.8591
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0497 0.5801
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0227 0.0051
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0857 0.0946
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0857 0.0922
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0597 0.1281
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.1556
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Schistosoma mansoni importin beta-1 0.0028 0.0452 0.0478
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0337 0.0578
Entamoeba histolytica hypothetical protein 0.0037 0.0705 0.7752
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0178 0.0135
Brugia malayi Flap endonuclease-1 0.003 0.0497 0.1044
Echinococcus granulosus cpg binding protein 0.0062 0.1464 0.1647
Echinococcus granulosus GPCR family 2 0.0015 0.0062 0.0027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0062 0.0027
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.0397
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0337 0.4991
Leishmania major GTP-binding protein, putative 0.0021 0.0227 0.0051
Loa Loa (eye worm) hypothetical protein 0.0033 0.0597 0.062
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0857 0.0692
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1057 0.2385
Loa Loa (eye worm) hypothetical protein 0.0049 0.1057 0.1154
Brugia malayi Importin beta-1 subunit 0.0028 0.0452 0.0936
Echinococcus multilocularis GPCR, family 2 0.0015 0.0062 0.0027
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0857 0.0946
Echinococcus granulosus dna polymerase eta 0.0042 0.0857 0.0946
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.8692 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0146 0.0124
Loa Loa (eye worm) hypothetical protein 0.0155 0.4237 0.4838
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0337 0.0162
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.4522 0.4423
Loa Loa (eye worm) TAR-binding protein 0.0141 0.3803 0.4335
Echinococcus granulosus dna polymerase kappa 0.0042 0.0857 0.0946
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0062 0.0027
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0227 0.0051
Entamoeba histolytica hypothetical protein 0.0037 0.0705 0.7752
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0027
Echinococcus multilocularis tar DNA binding protein 0.0141 0.3803 0.435
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0291 0.0116
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.3803 0.4335
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0348 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0467 0.0295
Entamoeba histolytica Ran family GTPase 0.0021 0.0227 0.0732
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0857 0.0946
Trichomonas vaginalis ran, putative 0.0021 0.0227 0.2653
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0291 0.3397
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0178 0.2073
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0857 0.0946
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.1063 0.0901
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0705 0.077
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0857 0.1906
Schistosoma mansoni ran 0.0021 0.0227 0.0218
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0178 0.2073
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3803 0.435
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0178 0.0278
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0227 0.018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1106 0.1234
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0146 0.0124
Echinococcus multilocularis flap endonuclease 1 0.003 0.0497 0.053
Loa Loa (eye worm) hypothetical protein 0.0025 0.0337 0.0319
Trypanosoma brucei unspecified product 0.0029 0.0467 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0467 0.0295
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.3339 0.3814
Giardia lamblia DINP protein human, muc B family 0.0042 0.0857 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Trypanosoma brucei DNA polymerase eta, putative 0.0042 0.0857 0.0692
Trypanosoma brucei unspecified product 0.0029 0.0467 0.0295
Leishmania major DNA polymerase eta, putative 0.0042 0.0857 0.0692
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0857 0.0946
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0705 0.077
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0165 0.4522 0.4423
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1106 0.2502
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0227 0.0051
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0497 0.0325
Schistosoma mansoni cpg binding protein 0.0062 0.1464 0.1647
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0027
Echinococcus multilocularis snurportin 1 0.0304 0.8692 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.1383 0.1227
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3803 0.435
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.0692
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.0857 0.0692
Echinococcus granulosus importin subunit beta 1 0.0028 0.0452 0.0478
Loa Loa (eye worm) hypothetical protein 0.0028 0.0452 0.0453
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0452 0.028
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0337 0.4991
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0227 0.0218
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0497 0.0325
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0027
Schistosoma mansoni hypothetical protein 0.0037 0.0705 0.077
Schistosoma mansoni ran 0.0021 0.0227 0.0218
Schistosoma mansoni cpg binding protein 0.0062 0.1464 0.1647
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0497 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0178 0.0161
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3803 0.435
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0178 0.0161
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0857 0.1387
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.0857 0.1387
Trypanosoma brucei unspecified product 0.0042 0.0857 0.0692
Schistosoma mansoni cpg binding protein 0.0059 0.1363 0.1531
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3803 0.435
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0497 0.4703
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0348 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0497 0.0325
Schistosoma mansoni hypothetical protein 0.0033 0.0597 0.0645
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0452 0.028
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0452 0.0478
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0497 0.1157
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0139 0.0185
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1106 0.121
Entamoeba histolytica hypothetical protein 0.0037 0.0705 0.7752
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0062 0.0027
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.3803 0.8961
Schistosoma mansoni ap endonuclease 0.0019 0.0178 0.0161
Brugia malayi CXXC zinc finger family protein 0.0059 0.1363 0.3117
Brugia malayi RNA, U transporter 1 0.0081 0.2023 0.4696
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0467 0.0295
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0291 0.3397
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0705 0.077
Entamoeba histolytica Flap nuclease, putative 0.003 0.0497 0.4703

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.
 
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

No literature references available for this target.

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