Detailed information for compound 1525308
Basic information
Technical information
- Name: Unnamed compound
- MW: 410.491 | Formula: C24H18N4OS
-
H donors: 2
H acceptors: 4
LogP: 5.1
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Oc1ccc(cc1)/C=C/c1nc2ccccc2nc1SCc1nc2c([nH]1)cccc2
- InChi: 1S/C24H18N4OS/c29-17-12-9-16(10-13-17)11-14-22-24(28-21-8-4-1-5-18(21)25-22)30-15-23-26-19-6-2-3-7-20(19)27-23/h1-14,29H,15H2,(H,26,27)/b14-11+
- InChiKey: RATBGLMTKIUNKU-SDNWHVSQSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | fructose-16-bisphosphatase-related | 0.0311 | 0.5 | 0.5 |
| Leishmania major | 0.0311 | 0.5 | 0.5 | |
| Toxoplasma gondii | fructose-bisphospatase II | 0.0311 | 0.5 | 0.5 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.0311 | 0.5 | 0.5 |
| Echinococcus multilocularis | fructose 1,6 bisphosphatase 1 | 0.0311 | 0.5 | 0.5 |
| Trypanosoma brucei | fructose-1,6-bisphosphatase | 0.0311 | 0.5 | 0.5 |
| Loa Loa (eye worm) | fructose-1,6-bisphosphatase | 0.0311 | 0.5 | 0.5 |
| Echinococcus granulosus | fructose 16 bisphosphatase 1 | 0.0311 | 0.5 | 0.5 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.0311 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 71.03 % | Anticancer activity against human IGROV1 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 75.47 % | Anticancer activity against human MOLT4 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 76.71 % | Anticancer activity against human Caki1 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 77.99 % | Anticancer activity against human CCRF-CEM cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 82.46 % | Anticancer activity against human SF295 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 84.38 % | Anticancer activity against human HL-60(TB) cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 85.66 % | Anticancer activity against human A549 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 85.96 % | Anticancer activity against human UO31 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 86.49 % | Anticancer activity against human HT-29 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 86.88 % | Anticancer activity against human MALME-3M cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 88.72 % | Anticancer activity against human A498 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 89.77 % | Anticancer activity against human HCT116 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 89.91 % | Anticancer activity against human MCF7 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 91.53 % | Anticancer activity against human SF268 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 92.68 % | Anticancer activity against human EKVX cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 93.62 % | Anticancer activity against human ACHN cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 93.68 % | Anticancer activity against human SNB75 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 94.31 % | Anticancer activity against human 786-0 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 94.78 % | Anticancer activity against human SN12C cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 95.18 % | Anticancer activity against human MDA-MB-231 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 95.26 % | Anticancer activity against human SK-MEL-5 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 95.29 % | Anticancer activity against human LOXIMVI cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 95.51 % | Anticancer activity against human NCI-H460 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 95.56 % | Anticancer activity against human U251 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 95.64 % | Anticancer activity against human SW620 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 96.11 % | Anticancer activity against human MDA-MB-435 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 96.67 % | Anticancer activity against human HCT15 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 96.98 % | Anticancer activity against human PC3 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 96.99 % | Anticancer activity against human UACC62 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 97.51 % | Anticancer activity against human DU145 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 97.81 % | Anticancer activity against human SNB19 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 98.91 % | Anticancer activity against human KM12 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 99.18 % | Anticancer activity against human SR cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 99.33 % | Anticancer activity against human NCI-H226 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 100 % | Anticancer activity against human M14 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 100 % | Anticancer activity against human OVCAR8 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 100 % | Anticancer activity against human NCI/ADR-RES cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 101 % | Anticancer activity against human HOP62 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 102 % | Anticancer activity against human NCI-H23 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 102 % | Anticancer activity against human SK-MEL-28 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 102 % | Anticancer activity against human OVCAR3 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 102 % | Anticancer activity against human OVCAR5 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 106 % | Anticancer activity against human RXF393 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 107 % | Anticancer activity against human K562 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 107 % | Anticancer activity against human OVCAR4 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 107 % | Anticancer activity against human TK10 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 111 % | Anticancer activity against human SF539 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 114 % | Anticancer activity against human MDA-MB-468 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 117 % | Anticancer activity against human UACC257 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 119 % | Anticancer activity against human COLO205 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
| Activity (functional) | = 123 % | Anticancer activity against human HCC2998 cells assessed as cell growth promotion at 10'-5 M after 48 hrs by SRB assay relative to control | ChEMBL. | 21458891 |
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: CHEMBL1782702
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.