Detailed information for compound 1357059
Basic information
Technical information
- TDR Targets ID: 1357059
- Name: N'-(3-nitrobenzoyl)-1,5-di(phenyl)pyrazole-3- carbohydrazide
- MW: 427.412 | Formula: C23H17N5O4
-
H donors: 2
H acceptors: 5
LogP: 4.16
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1cc(n(n1)c1ccccc1)c1ccccc1)NNC(=O)c1cccc(c1)[N+](=O)[O-]
- InChi: 1S/C23H17N5O4/c29-22(17-10-7-13-19(14-17)28(31)32)24-25-23(30)20-15-21(16-8-3-1-4-9-16)27(26-20)18-11-5-2-6-12-18/h1-15H,(H,24,29)(H,25,30)
- InChiKey: PWTCZUPFLNBLGB-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N'-[(3-nitrophenyl)-oxomethyl]-1,5-di(phenyl)-3-pyrazolecarbohydrazide
- N'-(3-nitrophenyl)carbonyl-1,5-di(phenyl)pyrazole-3-carbohydrazide
- 3-Nitro-benzoic acid N'-(1,5-diphenyl-1H-pyrazole-3-carbonyl)-hydrazide
- MLS000589446
- SMR000212908
- STOCK2S-43973
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
| Homo sapiens | tyrosyl-DNA phosphodiesterase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.9523 | 0.9523 |
| Echinococcus granulosus | transcription factor Dp 1 | 0.0046 | 0.5027 | 0.5027 |
| Trypanosoma cruzi | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 1 | 0.5 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.6374 | 0.6374 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.9523 | 0.9523 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.9523 | 0.9523 |
| Entamoeba histolytica | tyrosyl-DNA phosphodiesterase, putative | 0.008 | 1 | 0.5 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.9523 | 0.9523 |
| Schistosoma mansoni | tyrosyl-DNA phosphodiesterase | 0.008 | 1 | 1 |
| Loa Loa (eye worm) | tyrosyl-DNA phosphodiesterase | 0.008 | 1 | 1 |
| Onchocerca volvulus | 0.0012 | 0 | 0.5 | |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.6374 | 0.6374 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.6374 | 0.6374 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.9523 | 0.9523 |
| Trypanosoma cruzi | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 1 | 0.5 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.6374 | 0.6374 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.9523 | 0.9523 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.6374 | 0.6374 |
| Leishmania major | tyrosyl-DNA phosphodiesterase 1 | 0.008 | 1 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.9523 | 0.9523 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0012 | 0 | 0.5 |
| Echinococcus granulosus | tyrosyl DNA phosphodiesterase 1 | 0.008 | 1 | 1 |
| Trypanosoma brucei | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 1 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.9523 | 0.9523 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.9523 | 0.9523 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.9523 | 0.9523 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0012 | 0 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.6374 | 0.6374 |
| Echinococcus multilocularis | tyrosyl DNA phosphodiesterase 1 | 0.008 | 1 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.9523 | 0.9523 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0012 | 0 | 0.5 |
| Echinococcus multilocularis | transcription factor Dp 1 | 0.0046 | 0.5027 | 0.5027 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.9523 | 0.9523 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.6374 | 0.6374 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.6374 | 0.6374 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.6374 | 0.6374 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.9523 | 0.9523 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 2.2387 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 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) | 13.1154 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 for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | 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.
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
- ChEMBL: CHEMBL1478949
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.