Compound Detail
CHEMBL140272
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Basic Information
| ChEMBL ID | CHEMBL140272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZMNMGRHACMSBT-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.65
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 6.68 | 6.68 | 210.0 | 2 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 5.53 | 5.53 | 2980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Inhibition of Cyclin dependent kinase 2-cyclinA | 15801831 |
| CDK2/Cyclin A2 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Cdk2/Cyclin A (unknown origin) using retinoblastoma protein substr... | - |
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Cyclin-dependent kinase 4-cyclin D | 11101352 |
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Cyclin-dependent kinase 4-cyclinD | 15801831 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Cdk4/Cyclin D (unknown origin) using retinoblastoma protein substr... | - |
| Fibroblast growth factor receptor | IC50 | = | 2980.0 | nM | 5.53 | Inhibition of FGFR (unknown origin) using poly (4:1) glutamate-tyrosine substrat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101352 | 10.1021/jm000271k | Cyclin-dependent kinase 4/cyclin D | 1 |
| 15801831 | 10.1021/jm049354h | Cyclin-dependent kinase 4/cyclin D | 1 |
| 15801831 | 10.1021/jm049354h | Unchecked | 1 |
| 18468903 | 10.1016/j.bmc.2008.04.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine