Detailed information for compound 1857875
Basic information
Technical information
- TDR Targets ID: 1857875
- Name: 1-(2-chloro-5-nitrophenyl)-N-[4-(2-methoxyphe nyl)piperazin-1-yl]methanimine
- MW: 374.821 | Formula: C18H19ClN4O3
-
H donors: 0
H acceptors: 2
LogP: 4.14
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccccc1N1CCN(CC1)/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
- InChi: 1S/C18H19ClN4O3/c1-26-18-5-3-2-4-17(18)21-8-10-22(11-9-21)20-13-14-12-15(23(24)25)6-7-16(14)19/h2-7,12-13H,8-11H2,1H3/b20-13+
- InChiKey: OHIWMONPLSSPLM-DEDYPNTBSA-N
Network
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Synonyms
- 1-(2-chloro-5-nitro-phenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
- 1-(2-chloro-5-nitrophenyl)-N-[4-(2-methoxyphenyl)-1-piperazinyl]methanimine
- (2-chloro-5-nitro-benzylidene)-[4-(2-methoxyphenyl)piperazin-1-yl]amine
- (E)-(2-chloro-5-nitro-benzylidene)-[4-(2-methoxyphenyl)piperazin-1-yl]amine
- BIM-0005851.P001
- (2-Chloro-5-nitro-benzylidene)-[4-(2-methoxy-phenyl)-piperazin-1-yl]-amine
- BAS 01809414
- ST5254576
- CBMicro_005892
- Oprea1_475228
- MLS000709343
- SMR000290010
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | EYA transcriptional coactivator and phosphatase 2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | tyrosyl-DNA phosphodiesterase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.1095 | 0.098 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.287 | 0.2777 |
| Trypanosoma cruzi | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 0.3049 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.1479 | 0.3262 |
| Echinococcus multilocularis | tyrosyl DNA phosphodiesterase 1 | 0.008 | 0.3049 | 0.2959 |
| Schistosoma mansoni | eyes absent homolog | 0.0106 | 0.4535 | 0.4535 |
| Echinococcus multilocularis | transcription factor Dp 1 | 0.0046 | 0.1181 | 0.1066 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.287 | 0.287 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.287 | 0.6081 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.287 | 0.6329 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.287 | 0.6329 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1095 | 0.5 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.1095 | 0.1902 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.287 | 0.287 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.1192 | 0.2628 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.1095 | 0.5 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.287 | 0.6329 |
| Echinococcus granulosus | transcription factor Dp 1 | 0.0046 | 0.1181 | 0.1066 |
| Echinococcus granulosus | tyrosyl DNA phosphodiesterase 1 | 0.008 | 0.3049 | 0.2959 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.2625 | 0.2529 |
| Brugia malayi | Tyrosyl-DNA phosphodiesterase family protein | 0.008 | 0.3049 | 0.6502 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.1187 | 0.2118 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.0835 | 0.5 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.1095 | 0.5 |
| Loa Loa (eye worm) | tyrosyl-DNA phosphodiesterase | 0.008 | 0.3049 | 0.6724 |
| Echinococcus multilocularis | geminin | 0.0205 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.3366 | 0.7422 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.1351 | 0.2979 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.0835 | 0.5 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.2866 | 0.2866 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.1095 | 0.2416 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.1028 | 0.0911 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.287 | 0.2777 |
| Brugia malayi | hypothetical protein | 0.0106 | 0.4535 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.287 | 0.6081 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.287 | 0.6081 |
| Trypanosoma cruzi | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 0.3049 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.287 | 0.287 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.1095 | 0.5 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0128 | 0.0128 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Entamoeba histolytica | tyrosyl-DNA phosphodiesterase, putative | 0.008 | 0.3049 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1095 | 0.1095 |
| Loa Loa (eye worm) | hypothetical protein | 0.0106 | 0.4535 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1095 | 0.1095 |
| Leishmania major | tyrosyl-DNA phosphodiesterase 1 | 0.008 | 0.3049 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0106 | 0.4535 | 1 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.1028 | 0.0911 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.2625 | 0.2529 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1095 | 0.5 |
| Brugia malayi | Bromodomain containing protein | 0.0091 | 0.3653 | 0.7924 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.1095 | 0.098 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.287 | 0.287 |
| Trypanosoma brucei | tyrosyl-DNA Phosphodiesterase (Tdp1), putative | 0.008 | 0.3049 | 1 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.1095 | 0.5 |
| Schistosoma mansoni | tyrosyl-DNA phosphodiesterase | 0.008 | 0.3049 | 0.3049 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.287 | 0.287 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.5805 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.9093 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.9433 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.0148 uM | PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (binding) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | 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.
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: CHEMBL3195286
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.