Compound Detail
CHEMBL477877
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Basic Information
| ChEMBL ID | CHEMBL477877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSLNBGJNQZNLSY-BOPFTXTBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
486.3
MW (Da)
3.66
ALogP
5
HBA
3
HBD
91.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of CDK4/Cyclin D1 assessed as inhibition of retinoblastoma susceptibi... | 19317452 |
| HCT-116 | IC50 | = | 380.0 | nM | 6.42 | Cytotoxicity against human HCT116 cells after 3 days by SRB assay | 19317452 |
| MCF7 | IC50 | = | 700.0 | nM | 6.16 | Cytotoxicity against human MCF7 cells after 3 days by SRB assay | 19317452 |
| Cyclin-dependent kinase 2 | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of CDK2/Cyclin E assessed as inhibition of retinoblastoma susceptibil... | 19317452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19317452 | 10.1021/jm801026e | MCF7 | 1 |
| 19317452 | 10.1021/jm801026e | HCT-116 | 1 |
| 19317452 | 10.1021/jm801026e | Cyclin-dependent kinase 2 | 1 |
| 19317452 | 10.1021/jm801026e | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 19317452 | 10.1021/jm801026e | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine