Detailed information for compound 1541853

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.565 | Formula: C24H35N5O5
  • H donors: 2 H acceptors: 6 LogP: -1.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(Cc1cccc(c1)C(=O)O)C)C
  • InChi: 1S/C24H35N5O5/c1-17-12-28(18(2)15-30)23(31)8-5-9-29-21(11-25-26-29)16-34-22(17)14-27(3)13-19-6-4-7-20(10-19)24(32)33/h4,6-7,10-11,17-18,22,30H,5,8-9,12-16H2,1-3H3,(H,32,33)/t17-,18+,22+/m0/s1
  • InChiKey: PSXRWHUTFZNORG-NJNPRVFISA-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 ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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
Toxoplasma gondii aminopeptidase N, putative 0.0029 0.0021 1
Echinococcus multilocularis GPCR, family 2 0.0051 0.0504 0.0484
Brugia malayi hypothetical protein 0.0029 0.0021 0.0021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0029 0.0021 0.0184
Trypanosoma brucei aminopeptidase, putative 0.0029 0.0021 0.0184
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.2873 0.2873
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0082 0.1153 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0029 0.0021 0.0184
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0841 0.0822
Loa Loa (eye worm) TATA binding protein associated factor 0.0029 0.0021 0.0021
Brugia malayi Pax transcription factor protein 2 0.0256 0.4887 0.4887
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0504 0.0504
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0082 0.1153 0.4208
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0154 0.2711 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0029 0.0021 0.0184
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0841 0.0841
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.0021
Trypanosoma brucei Aminopeptidase M1, putative 0.0082 0.1153 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0256 0.4887 0.4887
Entamoeba histolytica aminopeptidase, putative 0.0082 0.1153 0.5
Brugia malayi TATA binding protein associated factor 0.0029 0.0021 0.0021
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0029 0.0021 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Schistosoma mansoni hypothetical protein 0.0051 0.0504 0.0484
Trypanosoma brucei Aminopeptidase M1, putative 0.0082 0.1153 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0495 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0841 0.0822
Brugia malayi Peptidase family M1 containing protein 0.0029 0.0021 0.0021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0154 0.2711 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.0053 0.0539 0.0539
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0495 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0504 0.0484
Onchocerca volvulus 0.0082 0.1153 0.2326
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0082 0.1153 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.0841 0.0841
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0082 0.1153 0.1134
Loa Loa (eye worm) aminopeptidase N 0.0082 0.1153 0.1153
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0154 0.2711 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0082 0.1153 0.4208
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0029 0.0021 0.0184
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0029 0.0021 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0539 0.0539
Trypanosoma cruzi aminopeptidase, putative 0.0029 0.0021 0.0184
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0029 0.0021 0.0184
Loa Loa (eye worm) hypothetical protein 0.0111 0.1776 0.1776
Schistosoma mansoni hypothetical protein 0.0051 0.0504 0.0484
Loa Loa (eye worm) hypothetical protein 0.0051 0.0504 0.0504
Echinococcus granulosus aminopeptidase N 0.0082 0.1153 0.1134
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0029 0.0021 0.0021
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0082 0.1153 1
Mycobacterium ulcerans hypothetical protein 0.0154 0.2711 1
Echinococcus granulosus GPCR family 2 0.0051 0.0504 0.0484
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0841 0.0841
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0082 0.1153 0.1134
Brugia malayi RNA binding protein 0.0067 0.0841 0.0841
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0154 0.2711 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0029 0.0021 0.0021
Toxoplasma gondii aminopeptidase N protein 0.0029 0.0021 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0082 0.1153 0.4208
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0841 0.0841
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0051 0.0504 0.0484
Echinococcus granulosus tar DNA binding protein 0.0067 0.0841 0.0822
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0495 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0841 0.0822
Brugia malayi TAR-binding protein 0.0067 0.0841 0.0841
Trypanosoma cruzi aminopeptidase, putative 0.0082 0.1153 1
Brugia malayi Peptidase family M1 containing protein 0.0082 0.1153 0.1153
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0053 0.0539 0.0519
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0053 0.0539 0.0519
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0495 1 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0841 0.0822
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0495 1 1
Toxoplasma gondii aminopeptidase n, putative 0.0029 0.0021 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0504 0.0484
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.1776 0.1776
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0495 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.2873 0.2873
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0029 0.0021 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0504 0.0484
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0082 0.1153 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0841 0.0822
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0029 0.0021 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0029 0.0021 0.0184
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0082 0.1153 0.1134
Echinococcus multilocularis aminopeptidase N 0.0082 0.1153 0.1134
Mycobacterium tuberculosis Probable aminotransferase 0.0154 0.2711 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0082 0.1153 1
Schistosoma mansoni hypothetical protein 0.0051 0.0504 0.0484
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0841 0.0822
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0504 0.0504
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0504 0.0484
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0053 0.0539 0.4678
Onchocerca volvulus 0.0256 0.4887 1
Schistosoma mansoni hypothetical protein 0.0111 0.1776 0.1759
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.0021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0082 0.1153 0.1134
Brugia malayi Peptidase family M1 containing protein 0.0082 0.1153 0.1153
Loa Loa (eye worm) hypothetical protein 0.0162 0.2873 0.2873
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0504 0.0504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0495 1 1
Onchocerca volvulus 0.0082 0.1153 0.2326
Brugia malayi hypothetical protein 0.0082 0.1153 0.1153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0495 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.2873 0.2873

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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