Detailed information for compound 1366787
Basic information
Technical information
- TDR Targets ID: 1366787
- Name: 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclohex yl-N-methylacetamide
- MW: 315.367 | Formula: C17H21N3O3
-
H donors: 1
H acceptors: 3
LogP: 2.11
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(N(C1CCCCC1)C)CN1C(=O)c2c(C1=O)c(N)ccc2
- InChi: 1S/C17H21N3O3/c1-19(11-6-3-2-4-7-11)14(21)10-20-16(22)12-8-5-9-13(18)15(12)17(20)23/h5,8-9,11H,2-4,6-7,10,18H2,1H3
- InChiKey: UWJMNCQVJDDQBH-UHFFFAOYSA-N
Network
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Synonyms
- 2-(4-amino-1,3-dioxo-isoindolin-2-yl)-N-cyclohexyl-N-methyl-acetamide
- 2-(4-amino-1,3-dioxo-2-isoindolinyl)-N-cyclohexyl-N-methylacetamide
- 2-(4-amino-1,3-diketo-isoindolin-2-yl)-N-cyclohexyl-N-methyl-acetamide
- 2-(4-amino-1,3-dioxo-isoindol-2-yl)-N-cyclohexyl-N-methyl-ethanamide
- T5512378
- ZINC07978415
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
| Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) | Protein Rev | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Caenorhabditis elegans | Protein GLD-1 | Starlite/ChEMBL | No references |
| Escherichia coli | penicillin-binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Leishmania donovani | hypothetical protein, conserved | Protein Rev | 116 aa | 95 aa | 26.3 % |
| Leishmania infantum | hypothetical protein, conserved | Protein Rev | 116 aa | 95 aa | 26.3 % |
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0341 | 0.073 |
| Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
| Leishmania major | calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative | 0.0135 | 0.2658 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0341 | 0.073 |
| Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
| Mycobacterium ulcerans | lipase LipD | 0.0043 | 0 | 0.5 |
| Trypanosoma brucei | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0043 | 0 | 0.5 |
| Trypanosoma cruzi | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0341 | 0.073 |
| Trypanosoma brucei | calpain, putative | 0.0135 | 0.2658 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0341 | 0.073 |
| Toxoplasma gondii | ABC1 family protein | 0.0043 | 0 | 0.5 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0 | 0.5 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C2, putative | 0.0135 | 0.2658 | 1 |
| Leishmania major | calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative | 0.0135 | 0.2658 | 1 |
| Onchocerca volvulus | 0.0043 | 0 | 0.5 | |
| Trypanosoma cruzi | calpain cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Trypanosoma cruzi | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Trypanosoma brucei | variant surface glycoprotein (VSG), putative | 0.0135 | 0.2658 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0043 | 0 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0341 | 0.073 |
| Trypanosoma brucei | hypothetical protein | 0.0135 | 0.2658 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.4673 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0341 | 0.073 |
| Trypanosoma cruzi | cysteine peptidase, Clan CA, family C2, putative | 0.0135 | 0.2658 | 1 |
| Trypanosoma cruzi | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Mycobacterium leprae | Probable lipase LipE | 0.0043 | 0 | 0.5 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0341 | 0.0341 |
| Trypanosoma brucei | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Trypanosoma brucei | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0043 | 0 | 0.5 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0 | 0.5 |
| Mycobacterium ulcerans | fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE | 0.0043 | 0 | 0.5 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0341 | 0.0341 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0043 | 0 | 0.5 |
| Leishmania major | calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative | 0.0135 | 0.2658 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 0.4673 | 1 |
| Echinococcus granulosus | geminin | 0.0205 | 0.4673 | 1 |
| Mycobacterium ulcerans | esterase/lipase LipP | 0.0043 | 0 | 0.5 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0043 | 0 | 0.5 |
| Trichomonas vaginalis | esterase, putative | 0.0043 | 0 | 0.5 |
| Trypanosoma brucei | calpain-like protein, putative | 0.0135 | 0.2658 | 1 |
| Echinococcus multilocularis | geminin | 0.0205 | 0.4673 | 1 |
| Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0278 | 0.6794 | 1 |
| Trypanosoma brucei | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Mycobacterium ulcerans | beta-lactamase | 0.0043 | 0 | 0.5 |
| Trypanosoma brucei | calpain-like cysteine peptidase, putative | 0.0135 | 0.2658 | 1 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0043 | 0 | 0.5 |
| Loa Loa (eye worm) | tumor suppressor | 0.0388 | 1 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0341 | 0.073 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 4.292 uM | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] | ChEMBL. | No reference |
| IC50 (binding) | > 8.386 um | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] | ChEMBL. | No reference |
| IC50 (functional) | = 32.6 uM | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | > 66 uM | PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.0326 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 6.3096 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
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: CHEMBL1493286
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.