Detailed information for compound 1535075

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.506 | Formula: C24H30N2O4
  • H donors: 0 H acceptors: 3 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C[C@H]2N([C@@H]1CC2)C(=O)N1CCC(CC1)C)c1ccc(cc1)C(=O)C
  • InChi: 1S/C24H30N2O4/c1-15-10-12-25(13-11-15)24(29)26-19-8-9-21(26)22(23(28)30-3)20(14-19)18-6-4-17(5-7-18)16(2)27/h4-7,15,19,21H,8-14H2,1-3H3/t19-,21+/m0/s1
  • InChiKey: PHULLWZIHXYSNR-PZJWPPBQSA-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 GNAS complex locus Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
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
Schistosoma japonicum expressed 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
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Loa Loa (eye worm) 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
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
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.419 0.5108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4897 0.6013
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0199 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5998 0.7421
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5998 0.7421
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.8012 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4897 0.6013
Toxoplasma gondii hypothetical protein 0.0026 0.0741 0.0693
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0199 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 0.5998 0.6481
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4897 0.6013
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.8012 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.419 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.3823
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.419 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.7956 0.9928
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.8012 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5998 0.7421
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0851 0.0834
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5998 0.7421
Schistosoma mansoni zinc finger protein 0.0024 0.0333 0.0172
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0199 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.4357 0.4709
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0741 0.0693
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.8012 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.5998 0.5916
Loa Loa (eye worm) hypothetical protein 0.0046 0.3611 0.3902
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.4897 0.5292
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Echinococcus granulosus peptidase Clp S14 family 0.005 0.419 0.5108
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.419 0.4744
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0199 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7332 0.9129
Loa Loa (eye worm) hypothetical protein 0.0077 0.8012 0.8658
Brugia malayi RNA binding protein 0.0063 0.5998 0.5916
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.8012 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.5998 0.7421
Loa Loa (eye worm) hypothetical protein 0.0049 0.4024 0.4348
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0518 0.0559
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0199 0.5
Brugia malayi Probable ClpP-like protease 0.0077 0.8012 0.7972
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4897 0.6013
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0199 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0741 0.0693
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7332 0.9129
Echinococcus granulosus tar DNA binding protein 0.0063 0.5998 0.7421
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0741 0.0693
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5998 0.7421
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0199 0.0215
Brugia malayi TAR-binding protein 0.0063 0.5998 0.5916
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0199 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.3599 0.3469
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0851 0.0834
Echinococcus multilocularis zinc finger protein 0.0024 0.0333 0.0172
Schistosoma mansoni hypothetical protein 0.0025 0.0518 0.0408
Brugia malayi PHD-finger family protein 0.003 0.1264 0.1086
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.9254 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.5998 0.6481
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0851 0.0834
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4897 0.6013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.3823
Echinococcus granulosus zinc finger protein 0.0024 0.0333 0.0172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4897 0.6013
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.4897 0.4793
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.5998 0.6481
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.8012 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4897 0.6013
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0199 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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