Compound Detail
CHEMBL71233
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Basic Information
| ChEMBL ID | CHEMBL71233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSIDWRRUWKYLPW-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
5.85
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Skut1B CHEMBL614678 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| SKUT-1A CHEMBL614926 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.01 | 4.01 | 97723.7 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Skut1B | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Rb positive Skut 1B cell proliferation | 11514172 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Cyclin dependent kinase CDK4/cyclin D1 | 11514172 |
| HCT-116 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of colon carcinoma cell line HCT116 proliferation | 11514172 |
| SKUT-1A | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of Rb negative Skut 1A cell proliferation | 11514172 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of CDK1/cyclin B | 11514172 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of CDK2/cyclin E | 11514172 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 97723.72 | nM | 4.01 | Inhibition of CDK2/Cyclin E (unknown origin) | 26741853 |
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 |
| 11514172 | 10.1016/s0960-894x(01)00416-4 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 11514172 | 10.1016/s0960-894x(01)00416-4 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine