Detailed information for compound 1349041
Basic information
Technical information
- TDR Targets ID: 1349041
- Name: N-(1-butyl-6-methoxypyrazolo[5,4-b]quinolin-3 -yl)propanamide
- MW: 326.393 | Formula: C18H22N4O2
-
H donors: 1
H acceptors: 3
LogP: 3.08
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: CCCCn1nc(c2c1nc1ccc(cc1c2)OC)NC(=O)CC
- InChi: 1S/C18H22N4O2/c1-4-6-9-22-18-14(17(21-22)20-16(23)5-2)11-12-10-13(24-3)7-8-15(12)19-18/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,21,23)
- InChiKey: BIFSGKZLPBOGHD-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(1-butyl-6-methoxy-pyrazolo[5,4-b]quinolin-3-yl)propanamide
- N-(1-butyl-6-methoxy-3-pyrazolo[5,4-b]quinolinyl)propanamide
- N-(1-butyl-6-methoxy-pyrazolo[5,4-b]quinolin-3-yl)propionamide
- ZINC05556652
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | 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
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3818 | 0.4014 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.7897 | 0.8527 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9228 | 1 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9167 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.7897 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.7897 | 0.7673 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9167 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3737 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.7897 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.7897 | 0.8527 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3378 | 0.2673 |
| Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0535 | 0.0678 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7886 | 0.9985 |
| Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0535 | 0.0678 |
| Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0191 | 0.0241 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.7897 | 0.7673 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3391 | 0.3541 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3737 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4163 | 0.4395 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.7897 | 0.8527 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.7897 | 0.7673 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0535 | 0.0678 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 9.285 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) | 11.2202 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | 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) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 20.5962 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) | 22.3872 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) | 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 for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (binding) | = 50.1187 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 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
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Saccharomyces cerevisiae | ChEMBL23 | ||
| Homo sapiens | ChEMBL23 | ||
| 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: CHEMBL1445989
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.