Compound Detail
CHEMBL308542
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O=C1NC(=O)c2c1c1c(ccc3cc[nH]c31)c1[nH]c3cc(OCc4ccccc4)ccc3c21
Basic Information
| ChEMBL ID | CHEMBL308542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRXURAFRZBACMR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
5.42
ALogP
3
HBA
3
HBD
87.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.73 | 6.575 | 187.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 187.0 | nM | 6.73 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 in enzymatic ass... | 12824014 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 378.0 | nM | 6.42 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 in enzymatic ass... | 12824014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824014 | 10.1016/s0960-894x(03)00461-x | Cyclin-dependent kinase 4/cyclin D1 | 2 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | cAMP-dependent protein kinase (PKA) | 1 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | HCT-116 | 1 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine