Compound Detail
CHEMBL3950849
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Basic Information
| ChEMBL ID | CHEMBL3950849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUHOUIDYEMVBPL-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
2.51
ALogP
9
HBA
2
HBD
104.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.47 | 6.7 | 3.4 | 5 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.52 | 5.52 | 3030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 3.4 | nM | 8.47 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 3.4 | nM | 8.47 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 3.4 | nM | 8.47 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 3030.0 | nM | 5.52 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 3030.0 | nM | 5.52 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 3030.0 | nM | 5.52 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
| Unchecked | IC50 | = | 3030.0 | nM | 5.52 | Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... | - |
Data from ChEMBL 36 via Core Engine