Detailed information for compound 1393107
Basic information
Technical information
- TDR Targets ID: 1393107
- Name: N-[(2-chlorophenyl)methyl]-4-[[(2-sulfanylide ne-1H-quinazolin-4-yl)amino]methyl]cyclohexan e-1-carboxamide
- MW: 440.989 | Formula: C23H25ClN4OS
-
H donors: 2
H acceptors: 3
LogP: 5.21
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: Sc1nc(NCC2CCC(CC2)C(=O)NCc2ccccc2Cl)c2c(n1)cccc2
- InChi: 1S/C23H25ClN4OS/c24-19-7-3-1-5-17(19)14-26-22(29)16-11-9-15(10-12-16)13-25-21-18-6-2-4-8-20(18)27-23(30)28-21/h1-8,15-16H,9-14H2,(H,26,29)(H2,25,27,28,30)
- InChiKey: HESNFYJZMUCIOV-UHFFFAOYSA-N
Network
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Synonyms
- N-[(2-chlorophenyl)methyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide
- N-[(2-chlorophenyl)methyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide
- N-(2-chlorobenzyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide
- EU-0095039
- MLS000621979
- N-(2-chlorobenzyl)-4-{[(2-thioxo-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexanecarboxamide
- SMR000310906
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No 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
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.5012 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.6169 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) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 21.1923 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.081 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 screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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.
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: CHEMBL1526341
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.