Detailed information for compound 1270445

Basic information

Technical information
  • TDR Targets ID: 1270445
  • Name: 2,2-dimethyl-N-[1-(2-methylpropyl)pyrazolo[5, 4-b]quinolin-3-yl]propanamide
  • MW: 324.42 | Formula: C19H24N4O
  • H donors: 1 H acceptors: 3 LogP: 4.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1nc(c2c1nc1ccccc1c2)NC(=O)C(C)(C)C)C
  • InChi: 1S/C19H24N4O/c1-12(2)11-23-17-14(10-13-8-6-7-9-15(13)20-17)16(22-23)21-18(24)19(3,4)5/h6-10,12H,11H2,1-5H3,(H,21,22,24)
  • InChiKey: QTJZZHZQGSSOKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-isobutylpyrazolo[5,4-b]quinolin-3-yl)-2,2-dimethyl-propanamide
  • N-(1-isobutyl-3-pyrazolo[5,4-b]quinolinyl)-2,2-dimethylpropanamide
  • N-(1-isobutylpyrazolo[5,4-b]quinolin-3-yl)-2,2-dimethyl-propionamide
  • MLS000081069
  • STOCK3S-97805
  • ZINC00523815
  • SMR000042899

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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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 bromodomain adjacent to zinc finger domain 0.0043 0.099 0.3933
Schistosoma mansoni zinc finger protein 0.0018 0.0065 0.0232
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2056 0.8167
Loa Loa (eye worm) hypothetical protein 0.0073 0.2103 0.2414
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0304 0.0349
Echinococcus multilocularis GPCR, family 2 0.0019 0.0086 0.0343
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0024 0.0288 0.1145
Echinococcus granulosus GPCR family 2 0.0019 0.0086 0.0343
Brugia malayi Bromodomain containing protein 0.0091 0.2742 0.3148
Echinococcus multilocularis zinc finger protein 0.0024 0.0257 0.102
Echinococcus granulosus voltage gated potassium channel 0.0024 0.0288 0.1145
Schistosoma mansoni bromodomain containing protein 0.0076 0.2216 0.79
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8711 1
Echinococcus granulosus zinc finger protein 0.0024 0.0257 0.102
Loa Loa (eye worm) hypothetical protein 0.006 0.1614 0.1853
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0085 0.2517 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0086 0.0343
Loa Loa (eye worm) hypothetical protein 0.0049 0.1206 0.1384
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0085 0.2517 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1482 0.5888
Schistosoma mansoni zinc finger protein 0.0024 0.0257 0.0915
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1482 0.5283
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0086 0.0343
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0086 0.0343
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0086 0.0343
Brugia malayi Pre-SET motif family protein 0.0251 0.8711 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.255 0.2927
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0718 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0144 0.0512
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0086 0.0099
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0024 0.0288 0.1145
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.2311 0.2311
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2056 0.8167
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1482 0.5283
Trypanosoma cruzi ISWI complex protein 0.0018 0.0065 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0718 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.1099 0.1262
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.039 0.1549
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0331
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0024 0.0288 0.0331
Trypanosoma brucei ISWI complex protein 0.0018 0.0065 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0144 0.0571
Trypanosoma cruzi ISWI complex protein 0.0018 0.0065 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1482 0.5888
Schistosoma mansoni hypothetical protein 0.0018 0.0065 0.0232
Loa Loa (eye worm) hypothetical protein 0.0057 0.1482 0.1702
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.2806 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1614 0.1853
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0718 0.285
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0907 0.1041
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.2311 0.2311
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0668 0.2655
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0144 0.0571
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0144 0.0512
Schistosoma mansoni hypothetical protein 0.0019 0.0086 0.0308
Echinococcus multilocularis voltage gated potassium channel 0.0024 0.0288 0.1145
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0085 0.2517 0.289
Brugia malayi Bromodomain containing protein 0.0046 0.1096 0.1259
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0085 0.2517 0.289
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.2806 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.039 0.1549
Schistosoma mansoni hypothetical protein 0.0041 0.0907 0.3233
Brugia malayi PHD-finger family protein 0.003 0.0496 0.0569
Loa Loa (eye worm) hypothetical protein 0.0052 0.1291 0.1482
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0086 0.0099
Leishmania major hypothetical protein, conserved 0.0018 0.0065 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0086 0.0099
Schistosoma mansoni hypothetical protein 0.0019 0.0086 0.0308
Loa Loa (eye worm) hypothetical protein 0.0019 0.0086 0.0099
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.039 0.139
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1614 0.1853
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.0288 0.1028
Brugia malayi Pre-SET motif family protein 0.0036 0.0718 0.0824
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.0288 0.1028
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0907 0.1041
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0718 0.2558
Schistosoma mansoni hypothetical protein 0.0025 0.0304 0.1084
Schistosoma mansoni hypothetical protein 0.0019 0.0086 0.0308
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0171 0.0197
Schistosoma mansoni hypothetical protein 0.0019 0.0086 0.0308
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1614 0.1853
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.099 0.3933
Plasmodium vivax SET domain protein, putative 0.0036 0.0718 0.5

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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):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) 14.7157 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) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] 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) 25.929 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 (binding) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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