Detailed information for compound 1649400

Basic information

Technical information
  • TDR Targets ID: 1649400
  • Name: 3-amino-5-methylsulfanyl-N,1-di(phenyl)pyrazo le-4-carboxamide
  • MW: 324.4 | Formula: C17H16N4OS
  • H donors: 2 H acceptors: 2 LogP: 3.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1c(C(=O)Nc2ccccc2)c(nn1c1ccccc1)N
  • InChi: 1S/C17H16N4OS/c1-23-17-14(16(22)19-12-8-4-2-5-9-12)15(18)20-21(17)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,20)(H,19,22)
  • InChiKey: VHCTWZUIIJMATE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-5-(methylthio)-N,1-di(phenyl)-4-pyrazolecarboxamide
  • 3-amino-5-(methylthio)-N,1-di(phenyl)pyrazole-4-carboxamide
  • AIDS-151473
  • AIDS151473
  • NSC692018
  • NCI60_033041
  • 3-Imino-5-(methylthio)-N,1-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

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
Echinococcus granulosus GPCR family 2 0.0017 0.0064 0.0338
Loa Loa (eye worm) hypothetical protein 0.0178 0.1897 0.1897
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.0157
Plasmodium vivax hypothetical protein, conserved 0.007 0.0666 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.007 0.0666 0.5
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0025 0.0157 0.0826
Schistosoma mansoni hypothetical protein 0.0017 0.0064 0.0338
Chlamydia trachomatis protoporphyrinogen oxidase 0.007 0.0666 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0178 0.1897 1
Schistosoma mansoni hypothetical protein 0.0017 0.0064 0.0338
Loa Loa (eye worm) hypothetical protein 0.0054 0.0485 0.0485
Schistosoma mansoni hypothetical protein 0.0017 0.0064 0.0338
Brugia malayi ELM2 domain containing protein 0.0025 0.0157 0.0161
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.007 0.0666 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0064 0.0338
Echinococcus multilocularis rest corepressor (corest) protein 0.0025 0.0157 0.0827
Brugia malayi hypothetical protein 0.007 0.0666 0.0685
Onchocerca volvulus CoRest homolog 0.0891 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0064 0.0338
Echinococcus multilocularis zinc finger protein 541 0.0025 0.0157 0.0826
Echinococcus granulosus SANT DNA binding 0.0025 0.0157 0.0826
Trypanosoma cruzi UDP-galactopyranose mutase 0.007 0.0666 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0064 0.0338
Plasmodium falciparum protoporphyrinogen oxidase 0.007 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0666 0.0666
Echinococcus multilocularis protoporphyrinogen oxidase 0.007 0.0666 0.3509
Echinococcus multilocularis 0.007 0.0666 0.3509
Echinococcus granulosus zinc finger protein 541 0.0025 0.0157 0.0826
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.007 0.0666 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0178 0.1897 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0037 0.029 0.029
Brugia malayi amine oxidase, flavin-containing family protein 0.0082 0.0796 0.082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0485 0.0485
Echinococcus granulosus metastasis associated protein MTA1 0.0025 0.0157 0.0826
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0178 0.1897 1
Echinococcus granulosus metastasis associated protein 1 mta1 0.0025 0.0157 0.0826
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0025 0.0157 0.0826
Leishmania major UDP-galactopyranose mutase 0.007 0.0666 0.5
Echinococcus multilocularis SANT, DNA binding 0.0025 0.0157 0.0826
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.056 0.6238 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0064 0.0064
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0064 0.0066
Trypanosoma cruzi UDP-galactopyranose mutase 0.007 0.0666 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.029 0.1531
Echinococcus granulosus REST corepressor 3 0.0025 0.0157 0.0827
Echinococcus multilocularis metastasis associated protein MTA1 0.0025 0.0157 0.0826
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1345 0.1345
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0025 0.0157 0.0826
Loa Loa (eye worm) hypothetical protein 0.019 0.2028 0.2028
Plasmodium vivax hypothetical protein, conserved 0.007 0.0666 1
Brugia malayi ELM2 domain containing protein 0.0025 0.0157 0.0161
Loa Loa (eye worm) hypothetical protein 0.0178 0.1897 0.1897
Loa Loa (eye worm) hypothetical protein 0.007 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0082 0.0796 0.0796
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0064 0.0338
Toxoplasma gondii histone lysine-specific demethylase 0.007 0.0666 1
Schistosoma mansoni zinc finger protein 0.0025 0.0157 0.0827
Schistosoma mansoni amine oxidase 0.007 0.0666 0.3509
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.029 0.0299
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0064 0.0066
Brugia malayi Myb-like DNA-binding domain containing protein 0.0025 0.0157 0.0161
Echinococcus multilocularis mesoderm induction early response protein 1 0.0025 0.0157 0.0826
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0064 0.0064
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.007 0.0666 0.3509
Plasmodium vivax protoporphyrinogen oxidase, putative 0.007 0.0666 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.007 0.0666 0.3509
Brugia malayi Myb-like DNA-binding domain containing protein 0.0865 0.9712 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0064 0.0338
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0485 0.05
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0485 0.05
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.007 0.0666 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.063 0.7035 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0064 0.0338
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.007 0.0666 0.5
Schistosoma mansoni rest corepressor (corest) protein 0.0025 0.0157 0.0826
Onchocerca volvulus 0.019 0.2028 0.1901
Brugia malayi MH2 domain containing protein 0.013 0.1345 0.1385
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.0157
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1345 0.1345
Schistosoma mansoni amine oxidase 0.007 0.0666 0.3509
Loa Loa (eye worm) hypothetical protein 0.0865 0.9712 0.9712
Loa Loa (eye worm) GATA zinc finger family protein 0.0025 0.0157 0.0157
Brugia malayi SWIRM domain containing protein 0.019 0.2028 0.2088
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.063 0.7035 1
Echinococcus granulosus mesoderm induction early response protein 1 0.0025 0.0157 0.0826
Schistosoma mansoni rest corepressor (corest) protein 0.0025 0.0157 0.0826

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.168 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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