Detailed information for compound 507520
Basic information
Technical information
- Name: Unnamed compound
- MW: 493.557 | Formula: C22H35N7O6
-
H donors: 4
H acceptors: 6
LogP: -0.57
Rotable bonds: 18
Rule of 5 violations (Lipinski): 1 - SMILES: OCCCCNC(=O)OCCn1nnnc1[C@H](NC(=O)C(N)(C)C)COCc1ccccc1OC
- InChi: 1S/C22H35N7O6/c1-22(2,23)20(31)25-17(15-34-14-16-8-4-5-9-18(16)33-3)19-26-27-28-29(19)11-13-35-21(32)24-10-6-7-12-30/h4-5,8-9,17,30H,6-7,10-15,23H2,1-3H3,(H,24,32)(H,25,31)/t17-/m1/s1
- InChiKey: RPYRERZMOUZWOQ-QGZVFWFLSA-N
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 | growth hormone secretagogue receptor | Starlite/ChEMBL | 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 |
|---|---|---|---|---|---|
| Schistosoma mansoni | rhodopsin-like orphan GPCR | growth hormone secretagogue receptor | 289 aa | 243 aa | 23.1 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0049 | 1 | 1 |
| Trypanosoma cruzi | CYC2-like cyclin 6, putative | 0.003 | 0.5771 | 0.5771 |
| Plasmodium vivax | protein kinase Crk2 | 0.0049 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0049 | 1 | 1 |
| Trypanosoma brucei | CYC2-like cyclin, putative | 0.003 | 0.5771 | 0.5771 |
| Trypanosoma cruzi | CYC2-like cyclin, putative | 0.003 | 0.5771 | 0.5771 |
| Trypanosoma brucei | cyclin 2 | 0.003 | 0.5771 | 0.5771 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0049 | 1 | 1 |
| Leishmania major | cell division protein kinase 2,cdc2-related kinase | 0.0049 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/CDK/CDK5 protein kinase | 0.0049 | 1 | 1 |
| Trypanosoma cruzi | cdc2-related kinase 3 | 0.0049 | 1 | 1 |
| Echinococcus multilocularis | xenotropic and polytropic retrovirus receptor 1 | 0.0005 | 0.0489 | 0.0489 |
| Trypanosoma cruzi | Low-affinity phosphate transporter PHO91 | 0.0005 | 0.0489 | 0.0489 |
| Leishmania major | cell division related protein kinase 2,cdc2-related kinase | 0.0049 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0049 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0049 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0049 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0049 | 1 | 1 |
| Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0049 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0005 | 0.0489 | 0.0489 |
| Plasmodium falciparum | protein kinase 5 | 0.0049 | 1 | 1 |
| Giardia lamblia | Xenotropic and polytropic murine leukemia virus receptor | 0.0005 | 0.0489 | 0.0489 |
| Trypanosoma cruzi | cdc2-related kinase 3 | 0.0049 | 1 | 1 |
| Entamoeba histolytica | cell division protein kinase 2, putative | 0.0049 | 1 | 1 |
| Toxoplasma gondii | cell-cycle-associated protein kinase CDK, putative | 0.0049 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.9886 | 0.988 |
| Echinococcus multilocularis | cyclin dependent kinase | 0.0049 | 1 | 1 |
| Schistosoma mansoni | xenotropic and polytropic murine leukemia virus receptor xpr1 | 0.0005 | 0.0489 | 0.0489 |
| Trypanosoma cruzi | CYC2-like cyclin 4, putative | 0.003 | 0.5771 | 0.5771 |
| Trypanosoma cruzi | cdc2-related kinase 1 | 0.0049 | 1 | 1 |
| Echinococcus granulosus | cyclin dependent kinase 1 | 0.0049 | 1 | 1 |
| Leishmania major | sodium/sulphate symporter, putative | 0.0005 | 0.0489 | 0.0489 |
| Trypanosoma cruzi | cdc2-related kinase 1 | 0.0049 | 1 | 1 |
| Trypanosoma brucei | cdc2-related kinase 3 | 0.0049 | 1 | 1 |
| Toxoplasma gondii | cyclin2 related protein | 0.003 | 0.5771 | 0.5771 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.003 | 0.5771 | 0.5771 |
| Entamoeba histolytica | cell division protein kinase 2, putative | 0.0049 | 1 | 1 |
| Toxoplasma gondii | cyclin, N-terminal domain-containing protein | 0.003 | 0.5771 | 0.5771 |
| Echinococcus granulosus | cyclin dependent kinase 5 | 0.0049 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0049 | 1 | 1 |
| Echinococcus granulosus | cyclin dependent kinase | 0.0049 | 1 | 1 |
| Giardia lamblia | Kinase, CMGC CDK | 0.0049 | 1 | 1 |
| Trypanosoma brucei | cdc2-related kinase 1 | 0.0049 | 1 | 1 |
| Toxoplasma gondii | vacuolar transporter chaperone VTC2 | 0.0005 | 0.0489 | 0.0489 |
| Toxoplasma gondii | SPX domain-containing protein | 0.0005 | 0.0489 | 0.0489 |
| Leishmania major | CYC2-like cyclin, putative | 0.003 | 0.5771 | 0.5771 |
| Giardia lamblia | Kinase, CMGC CDK | 0.0049 | 1 | 1 |
| Echinococcus multilocularis | cyclin dependent kinase 5 | 0.0049 | 1 | 1 |
| Echinococcus granulosus | 5'partial|cyclin dependent kinase 1 | 0.0049 | 1 | 1 |
| Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0049 | 1 | 1 |
| Echinococcus granulosus | xenotropic and polytropic retrovirus receptor 1 | 0.0005 | 0.0489 | 0.0489 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 1.11 nM | Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay | ChEMBL. | 18295486 |
| EC50 (functional) | = 1.11 nM | Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay | ChEMBL. | 18295486 |
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
No external resources registered for this compound
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.