Compound Detail
CHEMBL4743130
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Basic Information
| ChEMBL ID | CHEMBL4743130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICHOXUPNGQKPQR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
2.93
ALogP
7
HBA
2
HBD
78.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.38 | 8.38 | 4.1 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 8.0 | 8.0 | 10.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 4.13 | nM | 8.38 | Inhibition of recombinant human full-length GST-tagged CDK4/cyclinD1 expressed i... | 33488958 |
| CDK9/cyclin T1 | IC50 | = | 6.18 | nM | 8.21 | Inhibition of human full-length N-terminal GST-fused CDK9 (1 to 372 residues)/Hi... | 33488958 |
| CDK6/cyclin D3 | IC50 | = | 10.1 | nM | 8.0 | Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/c... | 33488958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33488958 | 10.1021/acsmedchemlett.0c00635 | CDK9/cyclin T1 | 1 |
| 33488958 | 10.1021/acsmedchemlett.0c00635 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 33488958 | 10.1021/acsmedchemlett.0c00635 | CDK6/cyclin D3 | 1 |
Data from ChEMBL 36 via Core Engine