Detailed information for compound 895140
Basic information
Technical information
- Name: Unnamed compound
- MW: 419.476 | Formula: C23H25N5O3
-
H donors: 2
H acceptors: 4
LogP: 1.42
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(CCn1nc(cc1C)C)NCC1Cc2c(O1)c(ccc2)c1cncc(c1)C(=O)N
- InChi: 1S/C23H25N5O3/c1-14-8-15(2)28(27-14)7-6-21(29)26-13-19-10-16-4-3-5-20(22(16)31-19)17-9-18(23(24)30)12-25-11-17/h3-5,8-9,11-12,19H,6-7,10,13H2,1-2H3,(H2,24,30)(H,26,29)
- InChiKey: KBRRPKLQXKBJND-UHFFFAOYSA-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 |
|---|---|---|---|---|
| Mycobacterium ulcerans | cytochrome P450 143A3 Cyp143A3 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 108B4 Cyp108B4 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 143A4 Cyp143A4 | 0.013 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 141 Cyp141 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome p450 150 cyp150 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 187A5 Cyp187A5 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 123A3 Cyp123A3 | 0.013 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0018 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 140 Cyp140 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 189A7 Cyp189A7 | 0.013 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 143 Cyp143 | 0.013 | 1 | 1 |
| Leishmania major | cytochrome p450-like protein | 0.0018 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 124 Cyp124 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 187A4 Cyp187A4 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 140A5 Cyp140A5 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 125A7 Cyp125A7 | 0.013 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450, putative | 0.0018 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 123 Cyp123 | 0.013 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 128 Cyp128 | 0.013 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 125 Cyp125 | 0.013 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0018 | 0 | 0.5 |
| Trypanosoma cruzi | cytochrome P450, putative | 0.0018 | 0 | 0.5 |
| Mycobacterium ulcerans | cytochrome P450 142A3 Cyp142A3 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 191A3 Cyp191A3 | 0.013 | 1 | 1 |
| Mycobacterium tuberculosis | Possible cytochrome P450 126 Cyp126 | 0.013 | 1 | 1 |
| Trypanosoma brucei | cytochrome P450, putative | 0.0018 | 0 | 0.5 |
| Mycobacterium ulcerans | cytochrome P450 124A1, Cyp124A1 | 0.013 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0018 | 0 | 0.5 |
| Mycobacterium ulcerans | cytochrome P450 126A3 Cyp126A3 | 0.013 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0018 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 monooxygenase 142 Cyp142 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 188A3 Cyp188A3 | 0.013 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 130 Cyp130 | 0.013 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 105Q4 Cyp105Q4 | 0.013 | 1 | 1 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0018 | 0 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.0123 | 0.9319 | 0.9319 |
Activities
No activities found for this compound.
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
- 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.