Compound Detail
CHEMBL124072
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Basic Information
| ChEMBL ID | CHEMBL124072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZTHAMCOXITDIY-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.26
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.64 | 200.0 | 2 |
| NCI-H460 CHEMBL396 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 6.3 | 5.98 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring pho... | 14552792 |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Phosphorylase kinase in rabbit muscle tissue in presence of [p32-g... | 1874734 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... | 1874734 |
| NCI-H460 | IC50 | = | 390.0 | nM | 6.41 | In vitro antiproliferative activity against NCI-460 (human lung) cell line. | 14552792 |
| HCT-116 | IC50 | = | 410.0 | nM | 6.39 | In vitro antiproliferative activity against HCT116 ( human colon) cell line. | 14552792 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 500.0 | nM | 6.3 | Inhibition of PKA (unknown origin) | 1874734 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against Protein kinase A (PKA) | 14552792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552792 | 10.1016/s0960-894x(03)00792-3 | HCT-116 | 2 |
| 14552792 | 10.1016/s0960-894x(03)00792-3 | NCI-H460 | 2 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | Unchecked | 2 |
| 14552792 | 10.1016/s0960-894x(03)00792-3 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 14552792 | 10.1016/s0960-894x(03)00792-3 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 14552792 | 10.1016/s0960-894x(03)00792-3 | cAMP-dependent protein kinase (PKA) | 1 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine