Compound Detail
CHEMBL5746046
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Basic Information
| ChEMBL ID | CHEMBL5746046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZXBPUJVINVNLU-AATRIKPKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
3.29
ALogP
6
HBA
3
HBD
94.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.33 | 6.33 | 466.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition Assay: CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM ... | - |
| CDK2/Cyclin A2 | IC50 | = | 466.0 | nM | 6.33 | Inhibition Assay: CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DT... | - |
Data from ChEMBL 36 via Core Engine