Compound Detail
CHEMBL5173726
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CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C\CCC[C@](C)(NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5173726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDOCXNIHAQPBIA-QOAATTFESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
2042.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.08
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dsDNA | Kd | = | 834.0 | nM | 6.08 | Binding affinity to FITC-labelled dsDNA (unknown origin) assessed as dissociatio... | 35647551 |
| DNA | Kd | = | 1140.0 | nM | 5.94 | Binding affinity to Escherichia coli GlnAp2 labelled with FITC assessed as disso... | 35647551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35647551 | 10.1039/d1md00371b | DNA | 3 |
| 35647551 | 10.1039/d1md00371b | Escherichia coli | 2 |
| 35647551 | 10.1039/d1md00371b | dsDNA | 1 |
| 35647551 | 10.1039/d1md00371b | Erythrocyte | 1 |
| 35647551 | 10.1039/d1md00371b | Cell membrane | 1 |
| 35647551 | 10.1039/d1md00371b | ADMET | 1 |
| 35647551 | 10.1039/d1md00371b | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine