Detailed information for compound 2129502
Basic information
Technical information
- TDR Targets ID: 2129502
- Name: 2-(4-methoxyphenyl)sulfonyl-1,3,4,9-tetrahydr opyrido[5,4-b]indole-3-carboxamide
- MW: 385.11 | Formula: C19H19N3O4S
-
H donors: 2
H acceptors: 3
LogP: 1.71
Rotable bonds: 4
Rule of 5 violations (Lipinski): 0 - SMILES: COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3c(c2CC1C(=O)N)cccc3
- InChi: InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)
- InChiKey: KBVPHVCPUVDXOQ-UHFFFAOYSA-N
Network
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Synonyms
- 2-(4-methoxyphenyl)sulfonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glycoprotein VI (platelet) | 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 |
|---|---|---|---|---|
| Leishmania major | extracellular receptor, putative | 0.0783 | 0 | 0.5 |
| Echinococcus granulosus | metabotropic glutamate receptor 2 | 0.698 | 0.654 | 0.654 |
| Loa Loa (eye worm) | glutamate receptor | 0.8333 | 0.7968 | 0.7968 |
| Loa Loa (eye worm) | hypothetical protein | 0.2136 | 0.1427 | 0.1427 |
| Brugia malayi | metabotropic GABA-B receptor subtype 2 | 0.1352 | 0.0601 | 0.0754 |
| Loa Loa (eye worm) | receptor family ligand binding region containing protein | 0.2136 | 0.1427 | 0.1427 |
| Onchocerca volvulus | Poor gastrulation protein homolog | 0.1352 | 0.0601 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0783 | 0 | 0.5 |
| Echinococcus multilocularis | metabotropic glutamate receptor 2 | 0.698 | 0.654 | 0.654 |
| Echinococcus multilocularis | GPCR, family 3, C terminal | 0.1352 | 0.0601 | 0.0601 |
| Loa Loa (eye worm) | metabotropic GABA-B receptor subtype 2 | 0.2136 | 0.1427 | 0.1427 |
| Schistosoma mansoni | metabotropic glutamate receptor | 0.698 | 0.654 | 0.713 |
| Schistosoma mansoni | hypothetical protein | 0.1352 | 0.0601 | 0.0655 |
| Brugia malayi | Receptor family ligand binding region containing protein | 0.2136 | 0.1427 | 0.1792 |
| Schistosoma mansoni | metabotropic glutamate receptor | 0.4062 | 0.346 | 0.3772 |
| Loa Loa (eye worm) | glutamate receptor | 0.3278 | 0.2633 | 0.2633 |
| Loa Loa (eye worm) | hypothetical protein | 1.0258 | 1 | 1 |
| Brugia malayi | metabotropic glutamate receptor subtype 5a (mGluR5a), putative | 0.7549 | 0.7141 | 0.8962 |
| Brugia malayi | metabotropic glutamate receptor type 2 | 0.4062 | 0.346 | 0.4342 |
| Loa Loa (eye worm) | hypothetical protein | 0.1352 | 0.0601 | 0.0601 |
| Trypanosoma cruzi | extracellular receptor, putative | 0.0783 | 0 | 0.5 |
| Echinococcus multilocularis | metabotropic glutamate receptor 5 | 1.0258 | 1 | 1 |
| Schistosoma mansoni | metabotropic glutamate receptor 2 3 (mglur group 2) | 0.9475 | 0.9173 | 1 |
| Onchocerca volvulus | Metabotropic glutamate receptor homolog | 0.1352 | 0.0601 | 1 |
| Echinococcus granulosus | GPCR family 3 C terminal | 0.1352 | 0.0601 | 0.0601 |
| Brugia malayi | Metabotropic glutamate receptor precursor. | 0.8333 | 0.7968 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 5.7 uM | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins followed by CVX addition measured after 5 mins by turbidimetric method | LITERATURE. | 27996269 |
| IC50 (binding) | = 6.7 uM | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 mins followed by collagen addition measured after 5 mins by turbidimetric method | LITERATURE. | 27996269 |
| IC50 (binding) | = 53.5 uM | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mins followed by CRP-XL addition measured after 5 mins by turbidimetric method | LITERATURE. | 27996269 |
| Inhibition (binding) | Antagonist activity at GP1a/GP2a receptor in human platelet rich plasma assessed as inhibition of platelet adhesion to fibrillar collagen at 10 to 100 uM preincubated with platelets for 30 mins followed by platelet adhesion to collagen measured after 1 hr in presence of Mg2+ by colorimetric method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mins followed by CRP-XL addition measured after 5 mins by turbidimetric method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced thromboxane A2 release preincubated for 10 mins followed by collagen addition measured after 10 mins by enzyme immunoassay | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of platelet adhesion to fibrillar collagen at 10 to 300 uM preincubated with platelets for 30 mins followed by platelet adhesion to collagen measured after 1 hr in absence of Mg2+ by colorimetric method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced P-selectin expression preincubated for 10 mins followed by collagen addition measured after 10 mins by flow cytometry | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced ATP release preincubated for 10 mins followed by collagen addition measured after 10 mins by luciferase reporter gene assay | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced phosphorylation of PLCgamma2 at Tyr-residue at 10 to 300 uM preincubated for 5 mins followed by collagen addition measured after 1 min by Western blot method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins followed by CVX addition measured after 5 mins by turbidimetric method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 mins followed by collagen addition measured after 5 mins by turbidimetric method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced intracellular calcium mobilization preincubated for 5 mins followed by collagen addition measured for 5 mins by Fura-2-AM dye based spectrofluorimetric method | LITERATURE. | 27996269 | |
| Inhibition (binding) | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced global tyrosine phosphorylation of platelet proteins at 3 to 100 uM preincubated for 5 mins followed by collagen addition measured after 1 min by Western blot method | LITERATURE. | 27996269 | |
| TIME | = 4 hr | Toxicity in Swiss albino mouse assessed as bleeding time at 30 umol/kg, po | LITERATURE. | 27996269 |
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: CHEMBL3959435
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.