Detailed information for compound 1390838

Basic information

Technical information
  • TDR Targets ID: 1390838
  • Name: N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]m ethyl]cyclopropanamine
  • MW: 249.696 | Formula: C12H12ClN3O
  • H donors: 1 H acceptors: 2 LogP: 2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nnc(o1)CNC1CC1
  • InChi: 1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)12-16-15-11(17-12)7-14-10-5-6-10/h1-4,10,14H,5-7H2
  • InChiKey: VOLNNXCXRJEBDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-amine
  • SMR000249028
  • MLS000334270

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0103 0.1441 0.5
Brugia malayi cytochrome P450 0.0103 0.1441 0.1441
Loa Loa (eye worm) hypothetical protein 0.0256 0.6543 0.6543
Brugia malayi Cytochrome P450 family protein 0.0103 0.1441 0.1441
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0103 0.1441 0.5
Loa Loa (eye worm) cytochrome P450 0.0103 0.1441 0.1441
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0103 0.1441 0.5
Brugia malayi Cytochrome P450 family protein 0.0359 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0103 0.1441 0.5
Leishmania major cytochrome p450-like protein 0.0359 1 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0103 0.1441 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0103 0.1441 0.5
Trypanosoma brucei cytochrome P450, putative 0.0359 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0359 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0359 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0359 1 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0103 0.1441 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0103 0.1441 0.5
Schistosoma mansoni hypothetical protein 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0103 0.1441 0.5
Brugia malayi Cytochrome P450 family protein 0.0103 0.1441 0.1441
Trypanosoma cruzi cytochrome P450, putative 0.0359 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0359 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0103 0.1441 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0103 0.1441 0.5
Mycobacterium leprae putative cytochrome p450 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0103 0.1441 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0103 0.1441 0.1441
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0103 0.1441 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0103 0.1441 0.5
Schistosoma mansoni cytochrome P450 0.0103 0.1441 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0103 0.1441 0.5
Loa Loa (eye worm) CYP4Cod1 0.0359 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0103 0.1441 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0103 0.1441 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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