Detailed information for compound 164008
Basic information
Technical information
- TDR Targets ID: 164008
- Name: 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-y l]-1H-indole-2-carboxamide
- MW: 328.793 | Formula: C18H17ClN2O2
-
H donors: 3
H acceptors: 2
LogP: 3.63
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: OC[C@@H](NC(=O)c1cc2c([nH]1)ccc(c2)Cl)Cc1ccccc1
- InChi: 1S/C18H17ClN2O2/c19-14-6-7-16-13(9-14)10-17(21-16)18(23)20-15(11-22)8-12-4-2-1-3-5-12/h1-7,9-10,15,21-22H,8,11H2,(H,20,23)/t15-/m0/s1
- InChiKey: RMGBACQDIOIZHJ-HNNXBMFYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-[(1S)-1-benzyl-2-hydroxy-ethyl]-5-chloro-1H-indole-2-carboxamide
- N-[(1S)-1-benzyl-2-hydroxyethyl]-5-chloro-1H-indole-2-carboxamide
- 5-chloro-N-[(2S)-1-hydroxy-3-phenyl-propan-2-yl]-1H-indole-2-carboxamide
- 5-chloro-N-[(1S)-1-(hydroxymethyl)-2-phenyl-ethyl]-1H-indole-2-carboxamide
- 5-chloro-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-1H-indole-2-carboxamide
- N-[(1S)-1-(benzyl)-2-hydroxy-ethyl]-5-chloro-1H-indole-2-carboxamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | phosphorylase, glycogen, liver | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Giardia lamblia | Glycogen phosphorylase | 0.013 | 0.314 | 0.5 |
| Schistosoma mansoni | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0083 | 0 | 0.5 |
| Toxoplasma gondii | SWIB/MDM2 domain-containing protein | 0.0234 | 1 | 1 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Echinococcus granulosus | Glycosyl transferase family 35 | 0.013 | 0.314 | 0.314 |
| Leishmania major | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Onchocerca volvulus | Glycogen phosphorylase homolog | 0.013 | 0.314 | 0.314 |
| Chlamydia trachomatis | DNA topoisomerase I | 0.0234 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0234 | 1 | 1 |
| Brugia malayi | SWIB/MDM2 domain containing protein | 0.0234 | 1 | 1 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0083 | 0 | 0.5 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0083 | 0 | 0.5 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.013 | 0.314 | 0.5 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0083 | 0 | 0.5 |
| Schistosoma mansoni | brg-1 associated factor | 0.0234 | 1 | 1 |
| Loa Loa (eye worm) | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0083 | 0 | 0.5 |
| Toxoplasma gondii | DNA topoisomerase domain-containing protein | 0.0234 | 1 | 1 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.013 | 0.314 | 0.5 |
| Brugia malayi | carbohydrate phosphorylase | 0.013 | 0.314 | 0.314 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Trypanosoma brucei | mitochondrial RNA binding complex 1 subunit | 0.0083 | 0 | 0.5 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0234 | 1 | 0.5 |
| Echinococcus granulosus | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Leishmania major | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0234 | 1 | 1 |
| Brugia malayi | brahma associated protein 60 kDa | 0.0234 | 1 | 1 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0234 | 1 | 1 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0234 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0234 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0234 | 1 | 1 |
| Echinococcus multilocularis | Upstream activation factor subunit UAF30 | 0.0234 | 1 | 1 |
| Plasmodium vivax | SWIB/MDM2 domain-containing protein, putative | 0.0234 | 1 | 0.5 |
| Echinococcus multilocularis | Glycosyl transferase, family 35 | 0.013 | 0.314 | 0.314 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0234 | 1 | 1 |
| Trypanosoma brucei | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0083 | 0 | 0.5 |
| Echinococcus granulosus | SWI:SNF matrix associated | 0.0234 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Chlamydia trachomatis | SWIB complex protein | 0.0234 | 1 | 1 |
| Echinococcus granulosus | Upstream activation factor subunit UAF30 | 0.0234 | 1 | 1 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0083 | 0 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0234 | 1 | 1 |
| Loa Loa (eye worm) | SWIB/MDM2 domain-containing protein | 0.0234 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Echinococcus granulosus | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Schistosoma mansoni | hypothetical protein | 0.0234 | 1 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0083 | 0 | 0.5 |
| Schistosoma mansoni | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Onchocerca volvulus | 0.0234 | 1 | 1 | |
| Echinococcus multilocularis | glycogen phosphorylase | 0.013 | 0.314 | 0.314 |
| Loa Loa (eye worm) | brahma associated protein | 0.0234 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0083 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | > 10000 nM | In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphate. | ChEMBL. | 9685232 |
| IC50 (binding) | > 10000 nM | In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphate. | ChEMBL. | 9685232 |
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: 10616297
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.