Detailed information for compound 778030
Basic information
Technical information
- TDR Targets ID: 778030
- Name: N-(4-chlorophenyl)-4-oxo-3,10-dihydro-2H-pyri mido[2,1-b]benzimidazole-2-carboxamide
- MW: 340.764 | Formula: C17H13ClN4O2
-
H donors: 2
H acceptors: 3
LogP: 2.91
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)NC(=O)C1CC(=O)n2c(N1)nc1c2cccc1
- InChi: 1S/C17H13ClN4O2/c18-10-5-7-11(8-6-10)19-16(24)13-9-15(23)22-14-4-2-1-3-12(14)20-17(22)21-13/h1-8,13H,9H2,(H,19,24)(H,20,21)
- InChiKey: MSQCLGRTDACFGF-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-chlorophenyl)-4-keto-3,10-dihydro-2H-pyrimido[2,1-b]benzimidazole-2-carboxamide
- MLS000719203
- SMR000291471
- BAS 14602020
- ST064672
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | 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 |
|---|---|---|---|---|
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 1 | 0.5 |
| Echinococcus granulosus | lamin | 0.0033 | 0.5833 | 0.5833 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.5833 | 0.5568 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.5833 | 0.5833 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.5833 | 0.5568 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.5833 | 0.5833 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Onchocerca volvulus | 0.0033 | 0.5833 | 0.5 | |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.5833 | 0.5833 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.5833 | 0.5833 |
| Onchocerca volvulus | 0.0033 | 0.5833 | 0.5 | |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.5833 | 0.5833 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 1 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.5833 | 0.5833 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.5627 | 0.5627 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.5833 | 0.5833 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 1 | 1 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.8382 | 0.5 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 1 | 0.5 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.5833 | 0.5833 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.8382 | 0.5 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 1 | 1 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 1 | 1 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0599 | 0.0599 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 0.5 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 5.0119 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) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.9185 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) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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: CHEMBL1602927
- Search by Saint Jude
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.