Detailed information for compound 1396620

Basic information

Technical information
  • TDR Targets ID: 1396620
  • Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl] benzohydrazide
  • MW: 278.737 | Formula: C13H15ClN4O
  • H donors: 2 H acceptors: 2 LogP: 1.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1ccc(cc1)Cn1nc(c(c1C)Cl)C
  • InChi: 1S/C13H15ClN4O/c1-8-12(14)9(2)18(17-8)7-10-3-5-11(6-4-10)13(19)16-15/h3-6H,7,15H2,1-2H3,(H,16,19)
  • InChiKey: WKCUCRZZLCCQMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzohydrazide
  • 4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]benzohydrazide
  • 4-(4-Chloro-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid hydrazide
  • MLS000767930
  • SMR000431252
  • ZINC00370122
  • Oprea1_243304
  • STK063857
  • AK-968/40414093

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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 granulosus guanine nucleotide binding protein Gs 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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 roundabout 2 0.0062 0.0414 0.0419
Onchocerca volvulus Tyrosine kinase homolog 0.0599 0.547 1
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.035 0.0355
Echinococcus granulosus protein tyrosine kinase 0.1068 0.9881 1
Echinococcus granulosus peroxidasin 0.0023 0.0045 0.0045
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.024 0.0243
Schistosoma mansoni protein kinase 0.0239 0.2082 0.2071
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.035 0.0355
Echinococcus multilocularis aurora kinase A 0.0239 0.2082 0.2107
Echinococcus granulosus roundabout 2 0.0023 0.0045 0.0045
Brugia malayi beta-lactamase family protein 0.0043 0.024 0.024
Schistosoma mansoni serine/threonine protein kinase 0.0499 0.4529 0.4558
Brugia malayi Prion-like- 0.0023 0.0045 0.0045
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.024 0.0198
Loa Loa (eye worm) beta-lactamase 0.0043 0.024 0.024
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Leishmania major protein kinase, putative 0.0239 0.2082 0.4295
Echinococcus multilocularis roundabout 2 0.0023 0.0045 0.0045
Schistosoma mansoni tyrosine kinase 0.0031 0.012 0.0077
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0239 0.2082 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.024 0.5
Echinococcus multilocularis peroxidasin 0.0023 0.0045 0.0045
Onchocerca volvulus Serine\/threonine kinase homolog 0.0499 0.4529 0.8264
Brugia malayi Fibronectin type III domain containing protein 0.0039 0.0199 0.0199
Echinococcus multilocularis tyrosine protein kinase otk 0.0023 0.0045 0.0045
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Echinococcus granulosus neuroglian 0.0023 0.0045 0.0045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.035 0.0355
Echinococcus granulosus aurora kinase A 0.0239 0.2082 0.2107
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0319 0.0323
Giardia lamblia Kinase, PLK 0.0499 0.4529 1
Onchocerca volvulus 0.0043 0.024 0.0359
Loa Loa (eye worm) hypothetical protein 0.0043 0.024 0.024
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.024 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.024 0.024
Trypanosoma brucei aurora B kinase 0.0239 0.2082 0.4295
Echinococcus granulosus twitchin 0.0053 0.0327 0.0331
Brugia malayi beta-lactamase family protein 0.0043 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.035 0.0311
Loa Loa (eye worm) AUR protein kinase 0.0239 0.2082 0.2082
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9049 0.9158
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0239 0.2082 0.2107
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0499 0.4529 0.4529
Onchocerca volvulus 0.0043 0.024 0.0359
Onchocerca volvulus 0.0581 0.5301 0.9687
Brugia malayi beta-lactamase 0.0043 0.024 0.024
Trichomonas vaginalis CAMK family protein kinase 0.0248 0.2165 0.449
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0023 0.0045 0.0045
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Brugia malayi serine/threonine protein kinase 6 0.0239 0.2082 0.2082
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0045 0.0045
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0023 0.0045 0.0045
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0039 0.0199 0.0157
Echinococcus granulosus roundabout 2 0.0023 0.0045 0.0045
Echinococcus multilocularis neuroglian 0.0023 0.0045 0.0045
Echinococcus multilocularis Immunoglobulin 0.0039 0.0199 0.0202
Loa Loa (eye worm) hypothetical protein 0.0043 0.024 0.024
Brugia malayi hypothetical protein 0.0039 0.0199 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.035 0.0311
Loa Loa (eye worm) hypothetical protein 0.0043 0.024 0.024
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0239 0.2082 0.2107
Echinococcus granulosus hemicentin 1 0.0023 0.0045 0.0045
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.024 0.0243
Mycobacterium leprae conserved hypothetical protein 0.0043 0.024 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0239 0.2082 0.2071
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0023 0.0045 0.0045
Mycobacterium ulcerans hypothetical protein 0.0043 0.024 0.5
Echinococcus granulosus defective proboscis extension response 0.0039 0.0199 0.0202
Trypanosoma cruzi aurora B kinase, putative 0.0239 0.2082 0.4295
Loa Loa (eye worm) hypothetical protein 0.0062 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Trypanosoma cruzi polo-like protein kinase, putative 0.0499 0.4529 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0499 0.4529 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.024 0.024
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0039 0.0199 0.0202
Echinococcus granulosus tyrosine protein kinase otk 0.0023 0.0045 0.0045
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0499 0.4529 0.4583
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2445 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0499 0.4529 0.4583
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Echinococcus granulosus contactin 0.0023 0.0045 0.0045
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0641 0.5865 0.5865
Loa Loa (eye worm) hypothetical protein 0.0043 0.024 0.024
Echinococcus multilocularis neuroglian 0.0049 0.0293 0.0297
Loa Loa (eye worm) hypothetical protein 0.0062 0.0414 0.0414
Brugia malayi serine/threonine-protein kinase 6 0.0239 0.2082 0.2082
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.024 0.0198
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0199 0.0199
Onchocerca volvulus 0.0043 0.024 0.0359
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0045 0.0045
Echinococcus granulosus lachesin 0.0023 0.0045 0.0045
Trichomonas vaginalis AGC family protein kinase 0.0239 0.2082 0.4295
Loa Loa (eye worm) AUR protein kinase 0.0239 0.2082 0.2082
Entamoeba histolytica serine/threonine protein kinase, putative 0.0499 0.4529 1
Echinococcus multilocularis lachesin 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Toxoplasma gondii aurora kinase 0.0239 0.2082 1
Trichomonas vaginalis AGC family protein kinase 0.0239 0.2082 0.4295
Brugia malayi Immunoglobulin I-set domain containing protein 0.0641 0.5865 0.5865
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0043 0.024 0.024
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.035 0.035
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.024 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.035 0.0355
Mycobacterium ulcerans lipase LipD 0.0043 0.024 0.5
Schistosoma mansoni kinase 0.0255 0.2227 0.2219
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Brugia malayi Peroxidasin 0.0023 0.0045 0.0045
Loa Loa (eye worm) AUR protein kinase 0.0239 0.2082 0.2082
Trichomonas vaginalis CAMK family protein kinase 0.0499 0.4529 1
Echinococcus granulosus roundabout 2 0.0062 0.0414 0.0419
Schistosoma mansoni vesicular amine transporter 0.0039 0.0199 0.0157
Mycobacterium leprae Probable lipase LipE 0.0043 0.024 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0052 0.0319 0.0319
Echinococcus multilocularis protein tyrosine kinase 0.1068 0.9881 1
Echinococcus multilocularis hemicentin 1 0.0023 0.0045 0.0045
Schistosoma mansoni cell adhesion molecule 0.0052 0.0319 0.0279
Loa Loa (eye worm) hypothetical protein 0.0043 0.024 0.024
Schistosoma mansoni nephrin 0.0049 0.0293 0.0253
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0199
Trypanosoma brucei polo-like protein kinase 0.0499 0.4529 1
Echinococcus granulosus Immunoglobulin 0.0039 0.0199 0.0202
Trichomonas vaginalis AGC family protein kinase 0.0239 0.2082 0.4295
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0039 0.0199 0.0157
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0023 0.0045 0.0045
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0023 0.0045 0.0045
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.035 0.035
Echinococcus granulosus neuroglian 0.0049 0.0293 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.035 0.0311
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0199
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0045 0.0045
Plasmodium falciparum serine/threonine protein kinase, putative 0.0239 0.2082 0.5
Echinococcus multilocularis roundabout 2 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Trichomonas vaginalis CAMK family protein kinase 0.0248 0.2165 0.449
Brugia malayi serine/threonine-protein kinase plk-2 0.0499 0.4529 0.4529
Echinococcus multilocularis Immunoglobulin 0.0039 0.0199 0.0202
Brugia malayi serine/threonine kinase 12 0.0239 0.2082 0.2082
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0026 0.0078 0.0078
Echinococcus multilocularis hemicentin 1 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0199
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0023 0.0045 0.0045
Schistosoma mansoni tyrosine kinase 0.1068 0.9881 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0499 0.4529 1
Trichomonas vaginalis AGC family protein kinase 0.0239 0.2082 0.4295

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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) = 4.4668 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) 14.575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 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

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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