Detailed information for compound 1489588

Basic information

Technical information
  • TDR Targets ID: 1489588
  • Name: 2-[[(Z)-2-[(2-methoxybenzoyl)amino]-3-phenylp rop-2-enoyl]amino]-3-phenylpropanoic acid
  • MW: 444.479 | Formula: C26H24N2O5
  • H donors: 3 H acceptors: 4 LogP: 4.23 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)N/C(=C\c1ccccc1)/C(=O)NC(C(=O)O)Cc1ccccc1
  • InChi: 1S/C26H24N2O5/c1-33-23-15-9-8-14-20(23)24(29)27-21(16-18-10-4-2-5-11-18)25(30)28-22(26(31)32)17-19-12-6-3-7-13-19/h2-16,22H,17H2,1H3,(H,27,29)(H,28,30)(H,31,32)/b21-16-
  • InChiKey: HBEZNDQXEYGJPX-PGMHBOJBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(Z)-2-[(2-methoxybenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]-3-phenyl-propanoic acid
  • 2-[[(Z)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-3-phenylpropanoic acid
  • 2-[[(Z)-2-[(2-methoxybenzoyl)amino]-3-phenyl-acryloyl]amino]-3-phenyl-propionic acid
  • 2-[[(Z)-2-[(2-methoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-3-phenyl-propanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0459 0.2714 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0593 0.3103
Loa Loa (eye worm) hypothetical protein 0.0118 0.0593 0.3103
Loa Loa (eye worm) glutaminase 0.033 0.1911 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0014 0.0072
Echinococcus granulosus cytochrome B 0.0459 0.2714 1
Brugia malayi Bromodomain containing protein 0.0091 0.0422 0.2207
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0028 0.0103
Loa Loa (eye worm) glutaminase 2 0.033 0.1911 1
Plasmodium vivax cytochrome b 0.0459 0.2714 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0202 0.0745
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0307 0.1131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0202 0.341
Schistosoma mansoni hypothetical protein 0.0118 0.0593 0.2185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0202 0.0745
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0202 0.1058
Plasmodium falciparum cytochrome b 0.0459 0.2714 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Toxoplasma gondii apocytochrome b, putative 0.0459 0.2714 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0028 0.0473
Onchocerca volvulus 0.1631 1 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0118 0.0593 0.2185
Trichomonas vaginalis glutaminase, putative 0.033 0.1911 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0202 0.0745
Echinococcus granulosus zinc finger protein 0.0024 0.0006 0.0021
Echinococcus granulosus inhibitor of apoptosis protein 0.0118 0.0593 0.2185
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni cytochrome b 0.028 0.1603 0.5905
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0202 0.1058
Schistosoma mansoni hypothetical protein 0.0025 0.0014 0.0051
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.1631 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0202 0.341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0202 0.0745
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0118 0.0593 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0118 0.0593 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0118 0.0593 0.3103
Schistosoma mansoni inhibitor of apoptosis protein 0.0118 0.0593 0.2185
Loa Loa (eye worm) hypothetical protein 0.0052 0.0179 0.0937
Brugia malayi cytochrome b 0.028 0.1603 0.8386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0202 0.0745
Brugia malayi Bromodomain containing protein 0.0046 0.0146 0.0766
Toxoplasma gondii cytochrome b 0.0459 0.2714 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.0334 0.123
Brugia malayi glutaminase DH11.1 0.033 0.1911 1
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.1631 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0129 0.2168
Loa Loa (eye worm) hypothetical protein 0.0049 0.0165 0.0862
Loa Loa (eye worm) hypothetical protein 0.0046 0.0147 0.0769
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0028 0.0103
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0307 0.5178
Loa Loa (eye worm) cytochrome b 0.028 0.1603 0.8386
Toxoplasma gondii apocytochrome b, putative 0.0179 0.097 0.3575
Loa Loa (eye worm) hypothetical protein 0.0085 0.039 0.2039
Schistosoma mansoni zinc finger protein 0.0024 0.0006 0.0021
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0129 0.0474
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0118 0.0593 0.3103
Schistosoma mansoni cytochrome b 0.0459 0.2714 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0118 0.0593 0.2185
Brugia malayi PHD-finger family protein 0.003 0.0046 0.024
Schistosoma mansoni glutaminase 0.033 0.1911 0.7042
Echinococcus multilocularis zinc finger protein 0.0024 0.0006 0.0097
Mycobacterium ulcerans glutaminase 0.033 0.1911 0.1911

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.006 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.3228 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

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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