Detailed information for compound 1409405
Basic information
Technical information
- TDR Targets ID: 1409405
- Name: 6-furan-3-yl-N-(phenylmethyl)quinazolin-4-ami ne
- MW: 301.342 | Formula: C19H15N3O
-
H donors: 1
H acceptors: 2
LogP: 4.04
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: c1ccc(cc1)CNc1ncnc2c1cc(cc2)c1cocc1
- InChi: 1S/C19H15N3O/c1-2-4-14(5-3-1)11-20-19-17-10-15(16-8-9-23-12-16)6-7-18(17)21-13-22-19/h1-10,12-13H,11H2,(H,20,21,22)
- InChiKey: HHJAGJADZCVNKD-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 6-(3-furyl)-N-(phenylmethyl)quinazolin-4-amine
- 6-(3-furyl)-N-(phenylmethyl)-4-quinazolinamine
- benzyl-[6-(3-furyl)quinazolin-4-yl]amine
- NCGC00011790
- PCOP-614992
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | CDC-like kinase 4 | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
| Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | 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 |
|---|---|---|---|---|---|
| Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
| Mycobacterium tuberculosis | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
| Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
| Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma brucei | Eukaryotic initiation factor 4A-1 | 0.01 | 1 | 1 |
| Onchocerca volvulus | Eukaryotic initiation factor 4A homolog | 0.01 | 1 | 1 |
| Trichomonas vaginalis | DEAD box ATP-dependent RNA helicase, putative | 0.01 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0036 | 0.2223 | 0.2223 |
| Echinococcus multilocularis | 0.0072 | 0.6641 | 0.5891 | |
| Leishmania major | eukaryotic initiation factor 4a, putative | 0.01 | 1 | 1 |
| Trichomonas vaginalis | DEAD box ATP-dependent RNA helicase, putative | 0.01 | 1 | 1 |
| Trichomonas vaginalis | DEAD box ATP-dependent RNA helicase, putative | 0.01 | 1 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 19, putative | 0.0073 | 0.6708 | 0.6454 |
| Plasmodium falciparum | eukaryotic initiation factor 4A | 0.01 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/CLK protein kinase | 0.0073 | 0.6708 | 0.6708 |
| Echinococcus granulosus | hypothetical protein | 0.0072 | 0.6641 | 0.5891 |
| Schistosoma mansoni | DEAD box ATP-dependent RNA helicase | 0.01 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.1825 | 0.1825 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 10, putative | 0.0073 | 0.6708 | 0.6454 |
| Echinococcus granulosus | eukaryotic initiation factor 4A III | 0.01 | 1 | 1 |
| Echinococcus granulosus | eukaryotic initiation factor 4A | 0.01 | 1 | 1 |
| Schistosoma mansoni | DEAD box ATP-dependent RNA helicase | 0.01 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0023 | 0.0719 | 0.0719 |
| Brugia malayi | Cytochrome P450 family protein | 0.0023 | 0.0719 | 0.0719 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.1825 | 0.1825 |
| Loa Loa (eye worm) | hypothetical protein | 0.01 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0073 | 0.6708 | 0.5974 |
| Trypanosoma cruzi | Eukaryotic initiation factor 4A-1 | 0.01 | 1 | 1 |
| Trypanosoma brucei | kinetoplastid kinetochore protein 19 | 0.0073 | 0.6708 | 0.6454 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.6745 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 19, putative | 0.0073 | 0.6708 | 0.6454 |
| Echinococcus multilocularis | dual specificity protein kinase clk2 | 0.0073 | 0.6708 | 0.5974 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 10, putative | 0.0073 | 0.6708 | 0.6454 |
| Loa Loa (eye worm) | hypothetical protein | 0.0072 | 0.6641 | 0.6641 |
| Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.6745 | 0.0112 |
| Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.6745 | 0.6019 |
| Entamoeba histolytica | DEAD/DEAH box helicase, putative | 0.01 | 1 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0073 | 0.6708 | 0.5974 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.6745 | 0.6019 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.1825 | 0.1825 |
| Mycobacterium tuberculosis | Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) | 0.01 | 1 | 1 |
| Treponema pallidum | ATP-dependent RNA helicase | 0.01 | 1 | 0.5 |
| Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.6745 | 0.6493 |
| Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.6745 | 0.6019 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0023 | 0.0719 | 0.0719 |
| Giardia lamblia | Translation initiation factor eIF-4A, putative | 0.01 | 1 | 1 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.6745 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.1753 | 0.1753 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.1825 | 0.1825 |
| Brugia malayi | Cytochrome P450 family protein | 0.0023 | 0.0719 | 0.0719 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.6745 | 0.6019 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.1825 | 0.1825 |
| Leishmania major | eukaryotic initiation factor 4a, putative | 0.01 | 1 | 1 |
| Plasmodium vivax | RNA helicase-1, putative | 0.01 | 1 | 1 |
| Echinococcus multilocularis | eukaryotic initiation factor 4A | 0.01 | 1 | 1 |
| Echinococcus multilocularis | eukaryotic initiation factor 4A III | 0.01 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0036 | 0.2223 | 0.2223 |
| Leishmania major | protein kinase, putative | 0.0073 | 0.6708 | 0.6454 |
| Leishmania major | protein kinase, putative | 0.0073 | 0.6708 | 0.6454 |
| Trypanosoma cruzi | Eukaryotic initiation factor 4A-1 | 0.01 | 1 | 1 |
| Echinococcus granulosus | dual specificity protein kinase clk2 | 0.0073 | 0.6708 | 0.5974 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0023 | 0.0719 | 0.0719 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.6745 | 1 |
| Trypanosoma brucei | kinetoplastid kinetochore protein 10 | 0.0073 | 0.6708 | 0.6454 |
| Toxoplasma gondii | eukaryotic initiation factor-4A, putative | 0.01 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0073 | 0.6708 | 0.6708 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | = 15.84893192 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
| AC50 (functional) | = 15.84893192 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
| AC50 (functional) | = 25.11886432 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
| Potency (ADMET) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 5.6234 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 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) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-FP Assay). (Class of assay: confirmatory) [Related pubchem assays: 1771, 1770 ] | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | 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: CHEMBL1552519
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.