Detailed information for compound 162243
Basic information
Technical information
- TDR Targets ID: 162243
- Name: 1'-(cyclopropylmethyl)spiro[adamantane-2,2'-p yrrolidine]
- MW: 245.403 | Formula: C17H27N
-
H donors: 0
H acceptors: 0
LogP: 3.7
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: C1CN(C2(C1)C1CC3CC2CC(C1)C3)CC1CC1
- InChi: 1S/C17H27N/c1-4-17(18(5-1)11-12-2-3-12)15-7-13-6-14(9-15)10-16(17)8-13/h12-16H,1-11H2
- InChiKey: QMOAJZCVNGQOMI-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-Cyclopropylmethyl)spiro[pyrrolidine-2,2'-tricyclo-[3.3.1.1]decane
- AIDS-188235
- AIDS188235
Targets
Known targets for this compound
No curated genes were found associated with this compound
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 |
|---|---|---|---|---|
| Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0234 | 0.5625 | 0.5 |
| Brugia malayi | Bm-MIF-1, identical | 0.0236 | 0.5718 | 1 |
| Trichomonas vaginalis | macrophage migration inhibitory factor, mif, putative | 0.0236 | 0.5718 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0146 | 0.1589 | 0.2779 |
| Echinococcus granulosus | thymidylate synthase | 0.0234 | 0.5625 | 0.5 |
| Brugia malayi | thymidylate synthase | 0.0234 | 0.5625 | 0.9837 |
| Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.033 | 1 | 1 |
| Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.033 | 1 | 1 |
| Giardia lamblia | Macrophage migration inhibitory factor | 0.0236 | 0.5718 | 0.5 |
| Entamoeba histolytica | macrophage migration inhibitory factor-like protein | 0.0236 | 0.5718 | 0.5 |
| Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.033 | 1 | 0.5 |
| Echinococcus multilocularis | thymidylate synthase | 0.0234 | 0.5625 | 0.5 |
| Onchocerca volvulus | 0.0234 | 0.5625 | 0.5 | |
| Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0234 | 0.5625 | 1 |
| Mycobacterium ulcerans | thymidylate synthase | 0.0234 | 0.5625 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0236 | 0.5718 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0146 | 0.1589 | 0.1927 |
| Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.033 | 1 | 1 |
| Loa Loa (eye worm) | macrophage migration inhibitory factor | 0.0236 | 0.5718 | 1 |
| Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.0234 | 0.5625 | 0.5 |
| Loa Loa (eye worm) | thymidylate synthase | 0.0234 | 0.5625 | 0.9818 |
| Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.033 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| MIC50 (functional) | >= 40 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on MDCK cell line infected with influenza A virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 100 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on MDCK cell line infected with influenza B virus | ChEMBL. | 8071937 |
| MIC50 (functional) | = 100 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HEF cell line infected with vaccinia virus | ChEMBL. | 8071937 |
| MIC50 (functional) | = 100 ug ml-1 | tested for minimum inhibitory concentration required to cause a microscopically detectable alteration of normal cell morphology by 50% on MDCK cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | >= 150 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HeLa cell line infected with RSV virus | ChEMBL. | 8071937 |
| MIC50 (functional) | = 150 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HEF cell line infected with vesicular stomatitis virus | ChEMBL. | 8071937 |
| MIC50 (functional) | >= 150 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HeLa cell line infected with RSV virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% was evaluated on CEM cell line infected with HIV-1 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on CEM cell line infected with HIV-2 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cell proliferation by 50% on HEF cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cell viability by 50% on CEM cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% was evaluated on CEM cell line infected with HIV-1 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on CEM cell line infected with HIV-2 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 200 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cell viability by 50% on CEM cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | = 300 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HEF cell line infected with HSV-1 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on vero cell line infected with parainfluenza 3 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | >= 400 ug ml-1 | Tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HEF cell line infected with thymidine kinase-deficient herpes simplex virus type 1 (TK-HSV-1) | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HEF cell line infected with HSV-2 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HeLa cell line infected with polio 1 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on vero cell line infected with coxsackie B4 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on vero cell line infected with sindbis virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on vero cell line infected with semliki forest virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on vero cell line infected with Reo 1 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to cause a microscopically detectable alteration of normal cell morphology by 50% on vero cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to cause a microscopically detectable alteration of normal cell morphology by 50% on HeLa cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to cause a microscopically detectable alteration of normal cell morphology by 50% on HEF cell line | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to reduce virus-induced cytopathicity by 50% on HeLa cell line infected with polio 1 virus | ChEMBL. | 8071937 |
| MIC50 (functional) | > 400 ug ml-1 | tested for minimum inhibitory concentration required to cause a microscopically detectable alteration of normal cell morphology by 50% on HeLa cell line | ChEMBL. | 8071937 |
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.
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
- PubChem: 513042
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.