Compound Detail
CHEMBL375283
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COCCOCCOCC(COCCOCCOC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(COCCOCCOC)COCCOCCOC)C5=O
Basic Information
| ChEMBL ID | CHEMBL375283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEHQJIVWIZZUSV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
947.0
MW (Da)
4.38
ALogP
16
HBA
0
HBD
185.5
PSA (Ų)
0.02
QED
2
Ro5 Violations
34
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.01 | 5.42 | 980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 980.0 | nM | 6.01 | Binding affinity to human nuclease hypersensitive region of c-MYC gene NHE-27 by... | 17079147 |
| Unchecked | Kd | = | 14800.0 | nM | 4.83 | Binding affinity to human double stranded nuclease hypersensitive region of c-MY... | 17079147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17079147 | 10.1016/j.bmc.2006.09.075 | Unchecked | 10 |
Data from ChEMBL 36 via Core Engine