Detailed information for compound 1425905

Basic information

Technical information
  • TDR Targets ID: 1425905
  • Name: N-propan-2-yl-4-[3-(trifluoromethyl)-4,5,6,7- tetrahydroindazol-1-yl]benzamide
  • MW: 351.366 | Formula: C18H20F3N3O
  • H donors: 1 H acceptors: 2 LogP: 4.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1ccc(cc1)n1nc(c2c1CCCC2)C(F)(F)F)C
  • InChi: 1S/C18H20F3N3O/c1-11(2)22-17(25)12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)16(23-24)18(19,20)21/h7-11H,3-6H2,1-2H3,(H,22,25)
  • InChiKey: RWTQYGUCVRJWLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-isopropyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
  • AF-399/42289924
  • MLS000580303
  • SMR000220467
  • ZINC00703744
  • BAS 09977424
  • N-Isopropyl-4-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-benzamide
  • STOCK4S-53630

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0783 0.0783
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.7475 0.7475
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0783 0.0783
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0009 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0009 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0783 0.0783
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Trypanosoma cruzi cytochrome P450, putative 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0009 0 0.5
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0009 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0783 0.0783
Schistosoma mansoni coup transcription factor 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0009 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0783 0.0783
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0783 0.0783
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0009 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi steroid hormone receptor 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0009 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0783 0.0783
Onchocerca volvulus 0.0012 0.0783 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.7475 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0009 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0009 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0009 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Leishmania major cytochrome p450-like protein 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0009 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0783 0.0783
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0009 0 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.0783 0.0783
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0009 0 0.5
Leishmania major cytochrome p450-like protein 0.0009 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0783 0.0783
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0783 0.0783
Brugia malayi nuclear hormone receptor 0.0012 0.0783 0.0783
Entamoeba histolytica hypothetical protein 0.0043 0.7475 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0783 0.0783
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0009 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0783 0.0783
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0009 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0783 0.5
Mycobacterium leprae putative cytochrome p450 0.0009 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0783 0.0783
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Mycobacterium leprae Conserved hypothetical protein 0.0009 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0783 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0783 0.0783
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.7475 0.7475
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0783 0.0783
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0783 0.0783
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0783 0.0783
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0009 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0009 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0783 0.0783
Brugia malayi hypothetical protein 0.0043 0.7475 0.7475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0009 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0032 0.4935 0.4935
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0783 0.0783
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0783 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0783 0.0783
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0009 0 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0783 0.0783
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0009 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0783 0.0783
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.4935 0.4935
Entamoeba histolytica hypothetical protein 0.0043 0.7475 0.5
Leishmania major cytochrome p450-like protein 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0783 0.0783
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0783 0.0783
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.7475 0.7475
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0009 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0783 0.0783
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0783 0.0783
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0009 0 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0009 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.7475 0.7475
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0783 0.0783
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0783 0.0783
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0009 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0009 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Trypanosoma brucei cytochrome P450, putative 0.0009 0 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0009 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0783 0.0783
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0783 0.0783
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0009 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0009 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.7475 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0012 0.0783 0.0783
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0783 0.0783
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0009 0 0.5

Activities

Activity type Activity value Assay description Source 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) 18.526 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) 18.526 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) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
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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