Compound Detail
CHEMBL70713
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Basic Information
| ChEMBL ID | CHEMBL70713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJXCPEFNCOTBNA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
5.55
ALogP
2
HBA
3
HBD
56.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Skut1B CHEMBL614678 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| SKUT-1A CHEMBL614926 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against Cyclin dependent kinase CDK4/D1 | 11514172 |
| HCT-116 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of colon carcinoma cell line HCT116 proliferation | 11514172 |
| Skut1B | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of Rb positive Skut 1B cell proliferation | 11514172 |
| SKUT-1A | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of Rb negative Skut 1A cell proliferation | 11514172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514172 | 10.1016/s0960-894x(01)00416-4 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 11514172 | 10.1016/s0960-894x(01)00416-4 | HCT-116 | 1 |
| 11514172 | 10.1016/s0960-894x(01)00416-4 | SKUT-1A | 1 |
| 11514172 | 10.1016/s0960-894x(01)00416-4 | Skut1B | 1 |
Data from ChEMBL 36 via Core Engine