Detailed information for compound 1472468

Basic information

Technical information
  • TDR Targets ID: 1472468
  • Name: 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol- 4-yl)-3-methyl-1-phenyl-4H-pyrano[5,6-d]pyraz ole-5-carbonitrile
  • MW: 442.9 | Formula: C24H19ClN6O
  • H donors: 1 H acceptors: 3 LogP: 5.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1c(C)nn(c1Cl)c1ccccc1)c(C)nn2c1ccccc1
  • InChi: 1S/C24H19ClN6O/c1-14-19(22(25)30(28-14)16-9-5-3-6-10-16)21-18(13-26)23(27)32-24-20(21)15(2)29-31(24)17-11-7-4-8-12-17/h3-12,21H,27H2,1-2H3
  • InChiKey: DFBHVNAQXZWJPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-3-methyl-1-phenyl-4H-pyrano[5,6-d]pyrazole-5-carbonitrile
  • 6-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-methyl-1-phenyl-4H-pyrano[5,6-d]pyrazole-5-carbonitrile
  • STOCK1S-18727

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni apoptosis regulator bax 0.0056 0.033 0.0261
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0293 0.2333 0.3231
Loa Loa (eye worm) TAR-binding protein 0.0454 0.369 0.3639
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0293 0.2333 1
Toxoplasma gondii isocitrate dehydrogenase 0.0293 0.2333 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0203 0.0123
Entamoeba histolytica hypothetical protein 0.0043 0.022 1
Brugia malayi TAR-binding protein 0.0454 0.369 0.369
Schistosoma mansoni hypothetical protein 0.0056 0.033 0.0261
Echinococcus multilocularis voltage dependent calcium channel 0.0119 0.0859 0.1045
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0293 0.2333 0.3231
Schistosoma mansoni hypothetical protein 0.0043 0.022 0.0098
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0036 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0056 0.033 0.0251
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0036 0.0154 0.5
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0036 0.0154 0.0154
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0293 0.2333 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.12 1 1
Echinococcus multilocularis voltage dependent calcium channel 0.0119 0.0859 0.1045
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0036 0.0154 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.038 0.3063 0.3007
Loa Loa (eye worm) hypothetical protein 0.0138 0.1023 0.095
Schistosoma mansoni hypothetical protein 0.0365 0.2936 0.4126
Schistosoma mansoni hypothetical protein 0.0056 0.033 0.0261
Loa Loa (eye worm) hypothetical protein 0.0138 0.1023 0.095
Loa Loa (eye worm) voltage-dependent calcium channel 0.0041 0.0203 0.0123
Brugia malayi N-terminal motif family protein 0.0188 0.1443 0.1443
Loa Loa (eye worm) hypothetical protein 0.0119 0.0859 0.0784
Loa Loa (eye worm) hypothetical protein 0.0124 0.0901 0.0827
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0293 0.2333 0.3231
Schistosoma mansoni hypothetical protein 0.038 0.3063 0.4314
Schistosoma mansoni tar DNA-binding protein 0.0454 0.369 0.5245
Loa Loa (eye worm) hypothetical protein 0.0036 0.0161 0.0081
Echinococcus granulosus voltage dependent calcium channel 0.0119 0.0859 0.1045
Schistosoma mansoni tar DNA-binding protein 0.0454 0.369 0.5245
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0041 0.0203 0.0542
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0293 0.2333 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0845 0.077
Echinococcus granulosus voltage dependent calcium channel 0.0041 0.0203 0.0073
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0119 0.0859 0.1045
Schistosoma mansoni hypothetical protein 0.0821 0.6789 0.984
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0293 0.2333 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0119 0.0859 0.1045
Schistosoma mansoni hypothetical protein 0.038 0.3063 0.4314
Brugia malayi RNA recognition motif domain containing protein 0.0454 0.369 0.369
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0293 0.2333 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0293 0.2333 0.3231
Schistosoma mansoni hypothetical protein 0.0191 0.1471 0.1954
Brugia malayi photoreceptor-specific nuclear receptor 0.0265 0.2092 0.2092
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0056 0.033 0.0261
Loa Loa (eye worm) hypothetical protein 0.0036 0.0161 0.0081
Schistosoma mansoni voltage-gated cation channel 0.0119 0.0859 0.1045
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.022 0.0098
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0119 0.0859 0.1045
Schistosoma mansoni calcium-activated potassium channel 0.0235 0.1842 0.2504
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.038 0.3063 0.4314
Schistosoma mansoni hypothetical protein 0.0056 0.033 0.0261
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0056 0.033 0.0261
Loa Loa (eye worm) hypothetical protein 0.0036 0.0154 0.0074
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0119 0.0859 0.1045
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0119 0.0859 0.0859
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6897 1
Toxoplasma gondii transporter, cation channel family protein 0.0041 0.0203 0.0542
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.038 0.3063 0.3063
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0056 0.033 0.0261
Brugia malayi isocitrate dehydrogenase 0.0293 0.2333 0.2333
Loa Loa (eye worm) RNA binding protein 0.0454 0.369 0.3639
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.038 0.3063 0.4314
Loa Loa (eye worm) pigment dispersing factor receptor c 0.12 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0293 0.2333 0.3231
Brugia malayi Latrophilin receptor protein 2 0.038 0.3063 0.3063
Schistosoma mansoni hypothetical protein 0.0191 0.1471 0.1954
Entamoeba histolytica hypothetical protein 0.0043 0.022 1
Echinococcus granulosus tar DNA binding protein 0.0454 0.369 0.5245
Entamoeba histolytica hypothetical protein 0.0043 0.022 1
Echinococcus granulosus GPCR family 2 0.038 0.3063 0.4314
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.022 0.0098
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0036 0.0154 0.5
Brugia malayi Isocitrate dehydrogenase 0.0293 0.2333 0.2333
Echinococcus multilocularis tar DNA binding protein 0.0454 0.369 0.5245
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0056 0.033 0.033
Brugia malayi hypothetical protein 0.0027 0.0081 0.0081
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.038 0.3063 0.4314
Loa Loa (eye worm) hypothetical protein 0.0365 0.2936 0.2879
Loa Loa (eye worm) hypothetical protein 0.0821 0.6789 0.6763
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0293 0.2333 0.3231
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0119 0.0859 0.1045
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0293 0.2333 0.3231
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6897 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6897 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0293 0.2333 1
Loa Loa (eye worm) hypothetical protein 0.12 1 1
Loa Loa (eye worm) calcium channel 0.0119 0.0859 0.0784
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0036 0.0154 0.0074
Toxoplasma gondii hypothetical protein 0.0036 0.0161 0.0355
Schistosoma mansoni tar DNA-binding protein 0.0454 0.369 0.5245
Brugia malayi Probable isocitrate dehydrogenase 0.0036 0.0154 0.0154
Brugia malayi Probable isocitrate dehydrogenase 0.0036 0.0154 0.0154
Toxoplasma gondii isocitrate dehydrogenase 0.0293 0.2333 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0041 0.0203 0.0542
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.038 0.3063 0.4314
Brugia malayi hypothetical protein 0.0043 0.022 0.022
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0056 0.033 0.0261
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0036 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.038 0.3063 0.4314
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0119 0.0859 0.1045
Loa Loa (eye worm) isocitrate dehydrogenase 0.0293 0.2333 0.227
Loa Loa (eye worm) apoptosis regulator protein 0.0056 0.033 0.0251
Echinococcus multilocularis GPCR, family 2 0.038 0.3063 0.4314
Loa Loa (eye worm) hypothetical protein 0.0111 0.0794 0.0719
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0293 0.2333 1
Brugia malayi latrophilin 2 splice variant baaae 0.0821 0.6789 0.6789
Schistosoma mansoni tar DNA-binding protein 0.0454 0.369 0.5245
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0119 0.0859 0.1045
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0293 0.2333 1
Brugia malayi RNA binding protein 0.0454 0.369 0.369
Entamoeba histolytica hypothetical protein 0.0043 0.022 1
Echinococcus granulosus small conductance calcium activated potassium 0.0365 0.2936 0.4126
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0036 0.0154 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0119 0.0859 0.1045
Echinococcus multilocularis geminin 0.0191 0.1471 0.1954
Leishmania major isocitrate dehydrogenase, putative 0.0036 0.0154 0.0324
Echinococcus multilocularis small conductance calcium activated potassium 0.0365 0.2936 0.4126
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.022 0.0098
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0454 0.369 0.3639
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0119 0.0859 0.1045
Echinococcus granulosus geminin 0.0191 0.1471 0.1954
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0056 0.033 0.0261
Schistosoma mansoni tar DNA-binding protein 0.0454 0.369 0.5245
Loa Loa (eye worm) hypothetical protein 0.0265 0.2092 0.2027
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0188 0.1443 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.1443 0.1373
Loa Loa (eye worm) hypothetical protein 0.038 0.3063 0.3007
Schistosoma mansoni calcium-activated potassium channel 0.0365 0.2936 0.4126
Schistosoma mansoni hypothetical protein 0.038 0.3063 0.4314
Brugia malayi hypothetical protein 0.0138 0.1023 0.1023

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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