Detailed information for compound 869456
Basic information
Technical information
- TDR Targets ID: 869456
- Name: 2-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl )-8-methyl-4,5-dihydrofuro[5,4-g]indazole-7-c arboxamide
- MW: 413.897 | Formula: C22H24ClN3O3
-
H donors: 1
H acceptors: 2
LogP: 3.7
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COCCCNC(=O)c1oc2c(c1C)c1nn(cc1CC2)Cc1cccc(c1)Cl
- InChi: 1S/C22H24ClN3O3/c1-14-19-18(29-21(14)22(27)24-9-4-10-28-2)8-7-16-13-26(25-20(16)19)12-15-5-3-6-17(23)11-15/h3,5-6,11,13H,4,7-10,12H2,1-2H3,(H,24,27)
- InChiKey: OXZATBBICLCDDJ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-(3-chlorobenzyl)-N-(3-methoxypropyl)-8-methyl-4,5-dihydrofuro[5,4-g]indazole-7-carboxamide
- NCGC00121600-01
- E233-1783
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | tumor protein p53 | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | chromobox homolog 1 | 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 |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | Glycosyl transferase family 35 | 0.0219 | 0.4963 | 0.4174 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0716 | 0.1274 |
| Trichomonas vaginalis | chromobox protein, putative | 0.0051 | 0.0463 | 0.0933 |
| Onchocerca volvulus | Heterochromatin protein 1 homolog | 0.0051 | 0.0463 | 0.0755 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0716 | 0.1069 |
| Chlamydia trachomatis | glycogen phosphorylase | 0.0219 | 0.4963 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0703 | 0.1248 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0047 | 0.0368 | 0.0741 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0716 | 0.1069 |
| Giardia lamblia | Glycogen phosphorylase | 0.0219 | 0.4963 | 0.5 |
| Trichomonas vaginalis | chromobox protein, putative | 0.0051 | 0.0463 | 0.0933 |
| Brugia malayi | Heterochromatin protein 1 | 0.0084 | 0.1354 | 0.2412 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.0219 | 0.4963 | 0.4174 |
| Brugia malayi | carbohydrate phosphorylase | 0.0219 | 0.4963 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0207 | 0.0229 |
| Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.0368 | 0.0559 |
| Schistosoma mansoni | glycogen phosphorylase | 0.0219 | 0.4963 | 1 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.0219 | 0.4963 | 0.4174 |
| Trichomonas vaginalis | chromobox protein, putative | 0.0084 | 0.1354 | 0.2729 |
| Schistosoma mansoni | glycogen phosphorylase | 0.0219 | 0.4963 | 1 |
| Trichomonas vaginalis | glycogen phosphorylase, putative | 0.0219 | 0.4963 | 1 |
| Mycobacterium ulcerans | epoxide hydrolase EphA | 0.0317 | 0.7571 | 1 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.0219 | 0.4963 | 1 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.0219 | 0.4963 | 1 |
| Onchocerca volvulus | Glycogen phosphorylase homolog | 0.0219 | 0.4963 | 1 |
| Onchocerca volvulus | Heterochromatin protein 1 homolog | 0.0047 | 0.0368 | 0.0559 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0047 | 0.0368 | 0.0741 |
| Schistosoma mansoni | chromobox protein | 0.0084 | 0.1354 | 0.2412 |
| Brugia malayi | chromobox protein homolog 3 | 0.0047 | 0.0368 | 0.0337 |
| Loa Loa (eye worm) | glycogen phosphorylase | 0.0219 | 0.4963 | 1 |
| Echinococcus granulosus | glycogen phosphorylase | 0.0219 | 0.4963 | 0.4174 |
| Onchocerca volvulus | 0.006 | 0.0703 | 0.1248 | |
| Echinococcus granulosus | glycogen phosphorylase | 0.0219 | 0.4963 | 0.4174 |
| Schistosoma mansoni | cellular tumor antigen P53 | 0.006 | 0.0703 | 0.1042 |
| Schistosoma mansoni | chromobox protein | 0.0084 | 0.1354 | 0.2412 |
| Loa Loa (eye worm) | heterochromatin protein 1 | 0.0084 | 0.1354 | 0.2586 |
| Echinococcus multilocularis | tumor protein p63 | 0.0408 | 1 | 1 |
| Echinococcus multilocularis | Glycosyl transferase, family 35 | 0.0219 | 0.4963 | 0.4174 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0716 | 0.1274 |
| Mycobacterium tuberculosis | Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) | 0.0317 | 0.7571 | 1 |
| Schistosoma mansoni | glycogen phosphorylase | 0.0095 | 0.164 | 0.3013 |
| Trichomonas vaginalis | glycogen phosphorylase, putative | 0.0219 | 0.4963 | 1 |
| Trichomonas vaginalis | chromobox protein, putative | 0.0084 | 0.1354 | 0.2729 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.1623 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 |
| Potency (functional) | 4.4668 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.9433 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | 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: CHEMBL1514180
- Search by Saint Jude
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.