Detailed information for compound 174823
Basic information
Technical information
- Name: Unnamed compound
- MW: 415.931 | Formula: C23H27ClFN3O
-
H donors: 0
H acceptors: 1
LogP: 4.21
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)CN1CCN(CC1)CC(=O)N1C(C)CCc2c1ccc(c2)F
- InChi: 1S/C23H27ClFN3O/c1-17-2-5-19-14-21(25)8-9-22(19)28(17)23(29)16-27-12-10-26(11-13-27)15-18-3-6-20(24)7-4-18/h3-4,6-9,14,17H,2,5,10-13,15-16H2,1H3
- InChiKey: KIXDFGLGWRVXHJ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Adrenergic receptor alpha-1 | Starlite/ChEMBL | References |
| Homo sapiens | dopamine receptor D2 | Starlite/ChEMBL | References |
| Homo sapiens | dopamine receptor D4 | 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
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0656 | 1 | 1 |
| Onchocerca volvulus | 0.0656 | 1 | 1 | |
| Echinococcus granulosus | tyrosine protein kinase Srms | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fps85D | 0.0656 | 1 | 1 |
| Entamoeba histolytica | SH2 domain containing protein | 0.0408 | 0.377 | 0.377 |
| Echinococcus granulosus | tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0656 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase shark | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0656 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0656 | 1 | 1 |
| Onchocerca volvulus | 0.0656 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase|tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0656 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Blk | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase shark | 0.0656 | 1 | 1 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Brugia malayi | SRC-1 | 0.0656 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0656 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0408 | 0.377 | 0.377 |
| Brugia malayi | Protein kinase domain containing protein | 0.0656 | 1 | 1 |
| Onchocerca volvulus | 0.0656 | 1 | 1 | |
| Onchocerca volvulus | 0.0656 | 1 | 1 | |
| Brugia malayi | Protein kinase domain containing protein | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0656 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0656 | 1 | 1 |
| Onchocerca volvulus | 0.0656 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Blk | 0.0656 | 1 | 1 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase ABL1 | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0656 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0656 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0656 | 1 | 1 |
| Brugia malayi | protein-tyrosine kinase | 0.0656 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0656 | 1 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0408 | 0.377 | 0.377 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fps85D | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0656 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0656 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0656 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Srms | 0.0656 | 1 | 1 |
| Onchocerca volvulus | 0.0656 | 1 | 1 | |
| Schistosoma mansoni | tyrosine kinase | 0.0656 | 1 | 1 |
| Loa Loa (eye worm) | SRC-1 | 0.0656 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0656 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 37 nM | Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand | ChEMBL. | 12372512 |
| Ki (binding) | = 37 nM | Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand | ChEMBL. | 12372512 |
| Ki (binding) | > 1000 nM | Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]-prazosin as radioligand | ChEMBL. | 12372512 |
| Ki (binding) | > 1000 nM | Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]-prazosin as radioligand | ChEMBL. | 12372512 |
| Ki (binding) | = 2220 nM | Binding affinity towards human Dopamine receptor D2 was determined via standard competitive displacement assay using [3H]-YM 09151 as radioligand | ChEMBL. | 12372512 |
| Ki (binding) | = 2220 nM | Binding affinity towards human Dopamine receptor D2 was determined via standard competitive displacement assay using [3H]-YM 09151 as radioligand | ChEMBL. | 12372512 |
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
- ChEMBL: CHEMBL107391
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.