Detailed information for compound 59349

Basic information

Technical information
  • TDR Targets ID: 59349
  • Name: (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfan ylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahyd ropyrido[2,1-b][1,3]thiazepine-7-carboxylic a cid
  • MW: 408.535 | Formula: C19H24N2O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S[C@H](C(=O)N[C@H]1CCS[C@@H]2N(C1=O)[C@@H](CCC2)C(=O)O)Cc1ccccc1
  • InChi: 1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
  • InChiKey: LVRLSYPNFFBYCZ-VGWMRTNUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
  • (4S,7S,10aS)-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
  • (4S,7S,10aS)-5-keto-4-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
  • omapatrilat
  • (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[6,1-b][1,3]thiazepine-7-carboxylic acid
  • (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[6,1-b][1,3]thiazepine-7-carboxylic acid
  • (4S,7S,10aS)-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[6,1-b][1,3]thiazepine-7-carboxylic acid
  • (4S,7S,10aS)-5-keto-4-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[6,1-b][1,3]thiazepine-7-carboxylic acid
  • 167305-00-2
  • Omapatrilat (JAN/USAN)
  • BMS-186716
  • BMS 186716
  • D01970

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Angiotensin-converting enzyme Starlite/ChEMBL References
Homo sapiens angiotensin I converting enzyme Starlite/ChEMBL References
Rattus norvegicus Neprilysin Starlite/ChEMBL References
Homo sapiens membrane metallo-endopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative Get druggable targets OG5_127344 All targets in OG5_127344
Onchocerca volvulus Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus granulosus endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium leprae probable zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium ulcerans zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Brugia malayi Peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) Neprilysin   750 aa 778 aa 20.2 %
Onchocerca volvulus Neprilysin   750 aa 713 aa 34.1 %
Onchocerca volvulus Neprilysin   750 aa 682 aa 31.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) zinc metallopeptidase 4 0.0056 0.0033 0.0049
Loa Loa (eye worm) hypothetical protein 0.0169 0.0564 0.0829
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.2147 0.5394
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0148 0.0466 0.1096
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0306 0.1211 0.1152
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0113 0.0303 0.0445
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0109 0.0284 0.0284
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0109 0.0284 0.022
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0109 0.0284 0.022
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0109 0.0284 0.0284
Schistosoma mansoni hypothetical protein 0.006 0.0052 0.0047
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0109 0.0284 0.0557
Echinococcus multilocularis geminin 0.0167 0.0554 0.1248
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.0313 0.0708
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0109 0.0284 0.0557
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0896 0.398 0.398
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.006 0.0056 0.19
Loa Loa (eye worm) hypothetical protein 0.0062 0.0066 0.0097
Schistosoma mansoni hypothetical protein 0.0167 0.0554 0.132
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0109 0.0284 0.0284
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.006 0.0056 0.0142
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0506 0.2147 0.3122
Schistosoma mansoni neprilysin-2 (M13 family) 0.0115 0.0313 0.0708
Echinococcus granulosus geminin 0.0167 0.0554 0.1248
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0115 0.0313 0.0708
Brugia malayi Pre-SET motif family protein 0.0203 0.0725 0.1023
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0896 0.398 1
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0172 0.0581 0.0581
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0109 0.0284 0.0284
Giardia lamblia Rrm3p helicase 0.0896 0.398 1
Trichomonas vaginalis glucosylceramidase, putative 0.035 0.1414 0.3553
Loa Loa (eye worm) hypothetical protein 0.0173 0.0582 0.0856
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0228 0.0843 0.2052
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0896 0.398 0.398
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.2147 0.5394
Toxoplasma gondii DNA polymerase family B protein 0.0109 0.0284 0.1997
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.0066 0.0048
Brugia malayi DNA polymerase alpha catalytic subunit 0.032 0.1274 0.1833
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.021 0.0368
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0896 0.398 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0896 0.398 0.398
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0172 0.0581 0.1459
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0109 0.0284 0.0713
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Toxoplasma gondii DNA polymerase 0.0109 0.0284 0.1997
Onchocerca volvulus 0.0231 0.0857 0.2819
Loa Loa (eye worm) hypothetical protein 0.0542 0.2317 0.3407
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0109 0.0284 0.0635
Loa Loa (eye worm) hypothetical protein 0.0228 0.0843 0.124
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0896 0.398 0.398
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0109 0.0284 0.0713
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0394 0.1624 0.403
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0109 0.0284 0.0284
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0306 0.1211 0.1211
Brugia malayi Peptidase family M13 containing protein 0.0228 0.0843 0.1197
Echinococcus granulosus endothelin converting enzyme 1 0.0228 0.0843 0.1986
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.006 0.0056 0.0083
Loa Loa (eye worm) hypothetical protein 0.0173 0.0582 0.0856
Schistosoma mansoni DNA polymerase eta 0.0062 0.0066 0.0083
Loa Loa (eye worm) hypothetical protein 0.0169 0.0564 0.0829
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.1031 0.4613 0.4577
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0112 0.0297 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.021 0.0368
Mycobacterium ulcerans hypothetical protein 0.1148 0.516 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.006 0.0052 0.0047
Schistosoma mansoni hypothetical protein 0.0896 0.398 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0306 0.1211 0.1211
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0109 0.0284 0.0557
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0109 0.0284 0.0557
Loa Loa (eye worm) hypothetical protein 0.006 0.0056 0.0083
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0896 0.398 0.394
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0109 0.0284 0.0713
Trichomonas vaginalis glucosylceramidase, putative 0.035 0.1414 0.3553
Loa Loa (eye worm) hypothetical protein 0.0173 0.0582 0.0856
Toxoplasma gondii hypothetical protein 0.0351 0.1422 1
Toxoplasma gondii peptidase family M13 protein 0.0228 0.0843 0.5929
Entamoeba histolytica hypothetical protein, conserved 0.0896 0.398 1
Brugia malayi DNA polymerase family B containing protein 0.0109 0.0284 0.037
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.1031 0.4613 0.4613
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.2147 0.5394
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0172 0.0581 0.0581
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0109 0.0284 0.0635
Brugia malayi jmjC domain containing protein 0.0093 0.021 0.0261
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0109 0.0284 0.0557
Schistosoma mansoni hypothetical protein 0.006 0.0052 0.0047
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0115 0.0313 0.0708
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0791 0.3486 0.8737
Plasmodium vivax DNA polymerase alpha, putative 0.032 0.1274 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.0857 0.2153
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0109 0.0284 0.0417
Trichomonas vaginalis conserved hypothetical protein 0.0896 0.398 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0542 0.2317 1
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0109 0.0284 0.9569
Trichomonas vaginalis DNA polymerase II, putative 0.0172 0.0581 0.1459
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.2147 0.5394
Loa Loa (eye worm) hypothetical protein 0.0169 0.0564 0.0829
Mycobacterium tuberculosis Conserved hypothetical protein 0.1148 0.516 1
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.0313 0.0708
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0048 0.0071
Leishmania major DNA polymerase eta, putative 0.0062 0.0066 0.0066
Trypanosoma brucei mitochondrial DNA polymerase beta 0.2179 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.0725 0.1066
Mycobacterium leprae probable zinc metalloprotease 0.0228 0.0843 0.5
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0109 0.0284 0.0635
Onchocerca volvulus Glucosylceramidase homolog 0.0332 0.133 0.5146
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0172 0.0581 0.0518
Echinococcus multilocularis endothelin converting enzyme 1 0.0228 0.0843 0.1986
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.2147 0.5394
Loa Loa (eye worm) hypothetical protein 0.0228 0.0843 0.124
Brugia malayi Angiotensin-converting enzyme family protein 0.1497 0.6802 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.1031 0.4613 0.4613
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.032 0.1274 0.896
Schistosoma mansoni hypothetical protein 0.006 0.0052 0.0047
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0109 0.0284 0.022
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.2179 1 1
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0109 0.0284 0.0557
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0109 0.0284 0.037
Entamoeba histolytica DNA repair and recombination protein, putative 0.0896 0.398 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.0843 0.124
Schistosoma mansoni hypothetical protein 0.006 0.0052 0.0047
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.0564 0.0829
Brugia malayi DNA polymerase delta catalytic subunit 0.0109 0.0284 0.037
Schistosoma mansoni hypothetical protein 0.006 0.0052 0.0047
Schistosoma mansoni neprilysin 0.006 0.0052 0.0047
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0112 0.0297 0.0746
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0109 0.0284 0.0713
Loa Loa (eye worm) hypothetical protein 0.0169 0.0564 0.0829
Schistosoma mansoni hypothetical protein 0.0167 0.0554 0.132
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.2179 1 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0228 0.0843 0.1197
Loa Loa (eye worm) hypothetical protein 0.0173 0.0582 0.0856
Schistosoma mansoni jumonji domain containing protein 0.0074 0.012 0.0219
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0394 0.1624 0.398
Giardia lamblia DNA polymerase alpha subunit A 0.0334 0.134 0.2857
Loa Loa (eye worm) hypothetical protein 0.0173 0.0582 0.0856
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.0564 0.0829
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0306 0.1211 0.1211
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0896 0.398 0.398
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.2147 0.5394
Loa Loa (eye worm) hypothetical protein 0.0173 0.0582 0.0856
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0896 0.398 0.394
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0506 0.2147 0.3156
Schistosoma mansoni hypothetical protein 0.006 0.0052 0.0047
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.1497 0.6802 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0056 0.0083
Onchocerca volvulus 0.0113 0.0303 0.0093
Trichomonas vaginalis glucosylceramidase, putative 0.0332 0.133 0.3342
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0394 0.1624 0.398
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0373 0.1525 0.1525

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.07 uM kg-1 Compound is evaluated for the dose required for 50% inhibition of AI pressor response in normotensive rats ChEMBL. 9925736
ED50 (functional) = 0.07 uM kg-1 50% inhibition of the AI pressor response in normotensive rat after intravenous administration at a dose 0.5 micromol/kg ChEMBL. 9171867
I50 (binding) = 5 nM In vitro inhibition of ACE (Angiotensin I converting enzyme) isolated from rabbit lung extract ChEMBL. 9171867
I50 (binding) = 8 nM In vitro inhibition of neutral endopeptidase purified from rat kidney using fluorometry assay ChEMBL. 9171867
IC50 (binding) = 5 nM In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL) as the substrate ChEMBL. 9925736
IC50 (binding) = 5 nM In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL) as the substrate ChEMBL. 9925736
IC50 (binding) = 5 nM In vitro inhibition of ACE (Angiotensin I converting enzyme) isolated from rabbit lung extract ChEMBL. 9171867
IC50 (binding) = 6 nM Inhibition of Angiotensin I converting enzyme ChEMBL. 10698448
IC50 (binding) = 6 nM Inhibition of Angiotensin I converting enzyme ChEMBL. 10698448
IC50 (binding) = 8 nM In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substrate ChEMBL. 9925736
IC50 (binding) = 8 nM In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substrate ChEMBL. 9925736
IC50 (binding) = 8 nM In vitro inhibition of neutral endopeptidase purified from rat kidney using fluorometry assay ChEMBL. 9171867
IC50 (binding) = 9 nM Inhibition of Neutral endopeptidase ChEMBL. 10698448
IC50 (binding) = 9 nM Inhibition of Neutral endopeptidase ChEMBL. 10698448
Inhibition (functional) = 58 % % inhibition of AI pressor response at 120 minutes after intravenous administration of 0.5 micro mol/kg of compound in rat ChEMBL. 9171867
Inhibition (functional) = 60 % % inhibition of AI pressor response at 60 minutes after intravenous administration of 0.5 micro mol/kg of compound in rat ChEMBL. 9171867
Inhibition (functional) = 66 % % inhibition of AI pressor response at 30 minutes after intravenous administration of 0.5 micro mol/kg of compound in rat ChEMBL. 9171867
Inhibition (functional) = 76 % % inhibition of AI pressor response at 2 minutes after intravenous administration of 0.5 micro mol/kg of compound in rat ChEMBL. 9171867
Ki (binding) = 6 nM Inhibition of human somatic ACE C-terminal domain ChEMBL. 19899765
Ki (binding) = 9 nM Inhibition of human somatic NEP ChEMBL. 19899765
MAP (functional) = 40 mmHg Decreased Mean arterial pressure (MAP) in rat after single oral dose of 30 micromol/kg ChEMBL. 9171867

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

4 literature references were collected for this gene.

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