Compound Detail
CHEMBL1083312
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Basic Information
| ChEMBL ID | CHEMBL1083312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSAVPVCOJIBFJO-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.37
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.78
IC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 6.78 | 6.55 | 167.0 | 2 |
| Nucleic Acid CHEMBL345 | IC50 | 4.13 | 4.13 | 74400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 167.0 | nM | 6.78 | Binding affinity to Bcl-2 promoter quadruplex DNA by surface plasmon resonance a... | 20481493 |
| Nucleic Acid | Kd | = | 482.0 | nM | 6.32 | Binding affinity to Bcl-2 promoter duplex DNA by surface plasmon resonance assay | 20481493 |
| Nucleic Acid | IC50 | = | 74400.0 | nM | 4.13 | Binding affinity to single-strand oligonucleotide Pu39 assessed as formation of ... | 20481493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20481493 | 10.1021/jm100445e | Nucleic Acid | 11 |
| 20481493 | 10.1021/jm100445e | HL-60 | 11 |
Data from ChEMBL 36 via Core Engine