Compound Detail
CHEMBL302234
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Basic Information
| ChEMBL ID | CHEMBL302234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQSNWOQGHYUMCK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.85
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 60.0 | nM | 7.22 | Inhibitory activity against human cytomegalo virus (HCMV) using standard plaque ... | 11454465 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 80.0 | nM | 7.1 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring pho... | 14552792 |
| NCI-H460 | IC50 | = | 430.0 | nM | 6.37 | In vitro antiproliferative activity against NCI-460 (human lung) cell line. | 14552792 |
| HCT-116 | IC50 | = | 510.0 | nM | 6.29 | In vitro antiproliferative activity against HCT116 ( human colon) cell line. | 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 |
| 11454465 | 10.1016/s0960-894x(01)00352-3 | Human betaherpesvirus 5 | 1 |
| 11454465 | 10.1016/s0960-894x(01)00352-3 | Vero | 1 |
| 11454465 | 10.1016/s0960-894x(01)00352-3 | Protein kinase C (PKC) | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine