Detailed information for compound 1644665
Basic information
Technical information
- TDR Targets ID: 1644665
- Name: [[4-methyl-2-(phenylamino)1,3-thiazole-5-carb onyl]amino]urea
- MW: 291.329 | Formula: C12H13N5O2S
-
H donors: 4
H acceptors: 3
LogP: 1.78
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: NC(=O)NNC(=O)c1sc(nc1C)Nc1ccccc1
- InChi: 1S/C12H13N5O2S/c1-7-9(10(18)16-17-11(13)19)20-12(14-7)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)(H,16,18)(H3,13,17,19)
- InChiKey: YJUMDISUEASESU-UHFFFAOYSA-N
Network
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Synonyms
- [[4-methyl-2-(phenylamino)thiazole-5-carbonyl]amino]urea
- [[[4-methyl-2-(phenylamino)-5-thiazolyl]-oxomethyl]amino]urea
- [[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]carbonylamino]urea
- NSC637598
- NCI60_012460
- 2-((2-Anilino-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazinecarboxamide
- AIDS-136319
- AIDS136319
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 |
|---|---|---|---|---|
| Trypanosoma brucei | mitochondrial RNA binding complex 1 subunit | 0.0495 | 0.1502 | 0.5 |
| Echinococcus multilocularis | zinc finger protein Ran binding | 0.0495 | 0.1502 | 0.1502 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.1392 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0495 | 0.1502 | 0.5 |
| Echinococcus multilocularis | ring and YY1 binding protein | 0.0495 | 0.1502 | 0.1502 |
| Toxoplasma gondii | SWIB/MDM2 domain-containing protein | 0.1392 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.1392 | 1 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0495 | 0.1502 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Echinococcus granulosus | zinc finger protein Ran binding | 0.0495 | 0.1502 | 0.1502 |
| Echinococcus multilocularis | Nuclear pore complex protein Nup153 | 0.0495 | 0.1502 | 0.1502 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0495 | 0.1502 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Toxoplasma gondii | DNA topoisomerase domain-containing protein | 0.1392 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma brucei | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0495 | 0.1502 | 0.5 |
| Echinococcus granulosus | Nuclear pore complex protein Nup153 | 0.0495 | 0.1502 | 0.1502 |
| Loa Loa (eye worm) | brahma associated protein | 0.1392 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.1392 | 1 | 1 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.1392 | 1 | 1 |
| Schistosoma mansoni | brg-1 associated factor | 0.1392 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.1392 | 1 | 0.5 |
| Echinococcus granulosus | Zinc finger RanBP2 type | 0.0495 | 0.1502 | 0.1502 |
| Loa Loa (eye worm) | SWIB/MDM2 domain-containing protein | 0.1392 | 1 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0495 | 0.1502 | 0.5 |
| Echinococcus granulosus | Upstream activation factor subunit UAF30 | 0.1392 | 1 | 1 |
| Echinococcus multilocularis | Upstream activation factor subunit UAF30 | 0.1392 | 1 | 1 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.1392 | 1 | 1 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0495 | 0.1502 | 0.5 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0495 | 0.1502 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Echinococcus granulosus | ring and YY1 binding protein | 0.0495 | 0.1502 | 0.1502 |
| Brugia malayi | SWIB/MDM2 domain containing protein | 0.1392 | 1 | 1 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.1392 | 1 | 1 |
| Plasmodium vivax | SWIB/MDM2 domain-containing protein, putative | 0.1392 | 1 | 0.5 |
| Onchocerca volvulus | 0.1392 | 1 | 1 | |
| Trichomonas vaginalis | conserved hypothetical protein | 0.1392 | 1 | 0.5 |
| Chlamydia trachomatis | DNA topoisomerase I | 0.1392 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0495 | 0.1502 | 0.5 |
| Chlamydia trachomatis | SWIB complex protein | 0.1392 | 1 | 0.5 |
| Echinococcus granulosus | SWI:SNF matrix associated | 0.1392 | 1 | 1 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.1392 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.1392 | 1 | 1 |
| Echinococcus multilocularis | Zinc finger, RanBP2 type | 0.0495 | 0.1502 | 0.1502 |
| Brugia malayi | brahma associated protein 60 kDa | 0.1392 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| GI50 (functional) | -4.191 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) | 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: CHEMBL1997322
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.